| SpectraBase Spectrum ID |
BmM4HWT3VQ3 |
| Name |
(1S,2R)-Cis2-(2-isopropoxycarbonyl)cyclobutane-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847832 |
