| SpectraBase Spectrum ID |
G2fXEDq64Z6 |
| Name |
(+-)-benzyl 2-[(1R,2S,3S)-2-acetyl-3-phenylcyclopropyl]acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.141244501 u |
| Formula |
C20H20O3 |
| InChI |
InChI=1S/C20H20O3/c1-14(21)19-17(20(19)16-10-6-3-7-11-16)12-18(22)23-13-15-8-4-2-5-9-15/h2-11,17,19-20H,12-13H2,1H3/t17-,19-,20-/m0/s1 |
| InChIKey |
NHRGZYQXAIBJHB-IHPCNDPISA-N |
| Molecular Weight |
308.377 g/mol |
| SMILES |
[C@]1([C@](CC(=O)OCC=2C=CC=CC2)([C@@]1(C1=CC=CC=C1)[H])[H])(C(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830319 |
![(+-)-benzyl 2-[(1R,2S,3S)-2-acetyl-3-phenylcyclopropyl]acetate](/api/spectrum/G2fXEDq64Z6/structure.png?h=300&w=458 "(+-)-benzyl 2-[(1R,2S,3S)-2-acetyl-3-phenylcyclopropyl]acetate")
