Sesamol
Compound with spectra: 5 NMR, 4 FTIR, 1 Raman, 1 UV-Vis, and 12 MS (GC)
| SpectraBase Compound ID | HP5CPAE6O6 |
|---|---|
| InChI | InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2 |
| InChIKey | LUSZGTFNYDARNI-UHFFFAOYSA-N |
| Mol Weight | 138.12 g/mol |
| Molecular Formula | C7H6O3 |
| Exact Mass | 138.031694 g/mol |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | S3003 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | S3003 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Sample | SAFC Cat.no. S3003 |
| Source of Spectrum | Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Copyright | Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Adams' Essential Oil Components (GC-MS), Version 4 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | VC-1981-793-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-5243-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | LQ-1992-2458-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | Va-0-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-4139-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SWG-33-1275-0 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | S3003 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | S3003 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2015-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | S3003 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | S300 |
| Technique | FILM (CAST FROM CHCl3) |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | S3003 |
| Technique | Mull |
| Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Methanol |
- 3,4-Methylenedioxyphenol
- 5-Hydroxy-1,3-benzodioxole
- 5-Benzodioxolol
- LUSZGTFNYDARNI-UHFFFAOYSA-N
- PHENOL, 3,4-/METHYLENEDIOXY/-,
- 1,3-Benzodioxol-5-ol
- Methylene ether of oxyhydroquinone
- CCRIS 1386
- EINECS 208-561-5
- NSC 59256
- BRN 0127405
- AI3-17298
- benzo[d][1,3]dioxol-5-ol
4-Ethoxy-3-methoxyphenol
1,2,4-Trimethoxybenzene
2-(Methoxymethoxy)-4-methylphenol
4-BROMO-2-(METHOXYMETHOXY)-PHENOL
Phenol, 4-chloro-3-(2-propenyloxy)-
(3-Methoxy-4-oxidanyl-phenyl) methanoate
3,4,5-Trimethoxyphenol
3-Methoxy-4-(methylthio)phenol
4-Butoxybenzene-1,2-diol
4-Hydroxy-2-methoxybenzonitrile
This compound is available in the following databases:
Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds, 3rd Edition
Author: Luigi Mondello
FFNSC provides in-depth coverage of monoterpene and sesquiterpene hydrocarbons, their oxygenated derivatives, and aliphatic oxygenated compounds, essential components in flavor and fragrance research. Learn more.
Food, Flavors, Fragrances, and Related Compounds: GC-MS Library
Author: Wiley
With Wiley's Food, Flavors, Fragrances, and Related Compounds GC-MS Library, get access to GC-MS spectra with focused compound coverage including essential oils, lipids, volatile organic compounds, terpenes, herbicides, insecticides, and other compounds of importance for food, flavor, fragrance, and cannabis applications. Learn more.
Wiley Registry of Mass Spectral Data 2023
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich Company Llc | |
| Sigma-Aldrich Company Llc. |