JLFOFQQASSASLV-UHFFFAOYSA-N
Compound with spectra: 4 NMR, and 2 MS (GC)
| 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 © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | C-117-2766-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | C-114-613-1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
- 1-METHOXYCARBONYL-BICYCLO-[1.1.1]-PENTANE
- Methyl bicyclo[1.1.1]pentane-1-carboxylic acid
1-HYDROXYCARBONYL-BICYCLO-[1.1.1]-PENTANE
2,2-Diethylbutanoic acid methyl ester
AWXXNEOTLRMFKW-UHFFFAOYSA-N
PTGGOGSYTIBQOF-UHFFFAOYSA-N
2,2-DIMETHYLVALERIANSAEUREMETHYLESTER
Methyl 2-ethyl-2-methylbutanoate
Methyl 2,2-dimethylpent-4-enoate
Methyl 4-Bromo-2,2-dimethylbutanoate
Methyl 2,2-dimethylhex-5-enoate
Butanoic acid, 2-(hydroxymethyl)-2-methyl-, methyl ester
| 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
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KnowItAll Mass Spectral Library
Author: Wiley
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