| SpectraBase Compound ID | DgxJqSt1p3v |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-5(2)13-9(12)7-4-3-6(7)8(10)11/h5-7H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m0/s1 |
| InChIKey | BHCIARWEVLAOPB-NKWVEPMBSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ebirf3r5B4m |
|---|---|
| Name | (1S,2R)-Cis2-(2-isopropoxycarbonyl)cyclobutane-1-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-5(2)13-9(12)7-4-3-6(7)8(10)11/h5-7H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m0/s1 |
| InChIKey | BHCIARWEVLAOPB-NKWVEPMBSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C([C@]1([C@](C(=O)O)([H])CC1)[H])(OC(C)C)=O |