| SpectraBase Spectrum ID |
27Vzn9HnwcN |
| Name |
(1R,2S)-2-(2-Benzoyl-3-phenylcyclopropyl)propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.125594437 u |
| Formula |
C19H18O3 |
| InChI |
InChI=1S/C19H18O3/c1-12(19(21)22)15-16(13-8-4-2-5-9-13)17(15)18(20)14-10-6-3-7-11-14/h2-12,15-17H,1H3,(H,21,22)/t12?,15-,16?,17+/m1/s1 |
| InChIKey |
SDSDCDBDOIDFIQ-IWPLNJTISA-N |
| SMILES |
[C@]1([C@](C(C(=O)O)C)(C1C1=CC=CC=C1)[H])(C(=O)C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959583 |
