| SpectraBase Spectrum ID |
2P6kBTXNgFr |
| Name |
(1R,3S)-3-[(Z)-hex-1-Enyl]-2,2-dimethylcyclopropane-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-4-5-6-7-8-9-10(11(13)14)12(9,2)3/h7-10H,4-6H2,1-3H3,(H,13,14)/b8-7-/t9-,10-/m0/s1 |
| InChIKey |
FTKBUGHMDFXSJW-OWSSEVEYSA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
C1([C@@](\C=C/CCCC)([C@]1(C(=O)O)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954888 |
![(1R,3S)-3-[(Z)-Hex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid](/api/spectrum/2P6kBTXNgFr/structure.png?h=300&w=458 "(1R,3S)-3-[(Z)-Hex-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid")
