| SpectraBase Spectrum ID |
CDcobeoUsQG |
| Name |
(S,E)-3-Methyl-4-phenylbut-3-en-2-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-10(11(2)15-12(3)14)9-13-7-5-4-6-8-13/h4-9,11H,1-3H3/b10-9+/t11-/m0/s1 |
| InChIKey |
CKIPTRXYHLQKRB-USKTWTLRSA-N |
| Molecular Weight |
204.269 g/mol |
| SMILES |
C(C)(=O)O[C@@](C)(\C(=C\C1=CC=CC=C1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953282 |
