beta-Hydroxy-beta-methylglutaric acid
Compound with spectra: 11 NMR, 4 FTIR, and 1 Raman
| SpectraBase Compound ID | 8VUh2tSfuJu |
|---|---|
| InChI | InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) |
| InChIKey | NPOAOTPXWNWTSH-UHFFFAOYSA-N |
| Mol Weight | 162.14 g/mol |
| Molecular Formula | C6H10O5 |
| Exact Mass | 162.052823 g/mol |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 3940 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 219851 |
| Copyright | Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka AG, Buchs, Switzerland |
| Solvent | DMSO-d6; Reference=TMS; Temperature 297K |
| Copyright | Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 219851 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Fluka AG, Buchs, Switzerland |
| Solvent | Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Pyridine-D5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | PYRIDINE-D5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6:TFA-D6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 219851 |
| Solvent | CDCl3 & DMSO-d6 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Catalog Number | H 436 |
| Technique | KBr WAFER |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 219851 |
| Technique | Mull |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 219851 |
- 3-Hydroxy-3-methylglutaric acid
- 3-HYDROXY-3-METHYLGLUCONIC-ACID
- GLUTARIC ACID, 3-HYDROXY-3-METHYL-,
3-hydroxy-3-methylvaleric acid
Pentanoic acid, 3-hydroxy-3-methyl-, (S)-
3,3-Dimethylglutaric acid
Methyl 3-hydroxy-3-methylpentanoate
4-HYDROXY-4-METHYL-2-HEXANONE
Butanoic acid, 3-hydroxy-3-methyl-, methyl ester
3,3-Dimethyl-5-hexynoic Acid
Ethyl 3-hydroxy-3-methylbutanoate
3,3-Dimethyl-4-pentynoic Acid
3-Cyano-3-methylbutanoic acid
| Title | Journal or Book | Year |
|---|---|---|
| Wahlenbergioside, a phenylpropanoid glucoside from Wahlenbergia marginata | Phytochemistry | 1997 |
| Palustroside, a coumarin glucoside ester fromLedum palustre | Phytochemistry | 1990 |
| Saponins from Bolbostemma paniculatum: Cyclic bisdesmosides, tubeimosides II and III | Phytochemistry | 1988 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.