1-Methoxycarbonyl-bicyclo-[1.1.1]-pentane
Compound with spectra: 4 NMR, 1 FTIR, and 3 MS (GC)
![1-Methoxycarbonyl-bicyclo-[1.1.1]-pentane](/api/compound/8bblXuAkwNH.png?ph=true&h=300&w=458 "1-Methoxycarbonyl-bicyclo-[1.1.1]-pentane")
| SpectraBase Compound ID | 8bblXuAkwNH |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-9-6(8)7-2-5(3-7)4-7/h5H,2-4H2,1H3 |
| InChIKey | JLFOFQQASSASLV-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | C-117-2766-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | C-114-613-1 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | J-54-2053-5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
- JLFOFQQASSASLV-UHFFFAOYSA-N
- Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester
- Methyl bicyclo[1.1.1]pentane-1-carboxylic acid
- Methyl bicyclo[1.1.1]pentane-1-carboxylate
- Methyl bicyclo[1.1.1]pentane-3-carboxylate
- 3-bicyclo[1.1.1]pentanecarboxylic acid methyl ester
- bicyclo[1.1.1]pentane-3-carboxylic acid methyl ester
1-HYDROXYCARBONYL-BICYCLO-[1.1.1]-PENTANE
2,2-Diethylbutanoic acid methyl ester
1-Carbamoyl-bicyclo-[1.1.1]-pentane
PTGGOGSYTIBQOF-UHFFFAOYSA-N
2,2-Dimethylvaleriansaeuremethylester
Butanoic acid, 2-ethyl-2-methyl-, methyl ester
Poly(methyl methacrylate-co-methacrylic acid), 2.5:1
Plexidur 907
Poly(methyl methacrylate-co-vinylidene fluoride)
Poly(vinylidene chloride-co-methyl methacrylate)
| Title | Journal or Book | Year |
|---|---|---|
| Influence ofσ-hyperconjugative interactions on13C substituent chemical shifts: experimental and theoretical study in 1-X,3-CH3-bicyclo[1.1.1]pentanes | Magnetic Resonance in Chemistry | 2004 |
| Transmission of polar substituent effects across the bicyclo[1.1.1]pentane ring system as monitored by19F NMR shifts | Magnetic Resonance in Chemistry | 2000 |
| A DFT/GIAO/NBO and experimental study of13C SCSs in 1-X-bicyclo[1.1.1]pentanes | Magnetic Resonance in Chemistry | 2000 |
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 GC-MS Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.
Wiley SmartSpectra IR Database
Author: Wiley
Designed for use with Wiley’s KnowItAll IR Spectral Library collection, this computed IR database can be used in unknown identification to expand your available chemical compound coverage and improve your analytical workflow. Learn more.
Wiley SmartSpectra Vapor Phase IR Database Collection
Author: Wiley
Designed for use with Wiley’s KnowItAll IR Spectral Library collection, this computed VPIR database can be used in unknown identification to expand your available chemical compound coverage and improve your analytical workflow. Learn more.