| SpectraBase Spectrum ID |
2C9JTQlM5Yc |
| Name |
4,5-Heptadienoic acid, 2-acetyl-, ethyl ester, (R*,S*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-4-6-7-8-10(9(3)12)11(13)14-5-2/h4,7,10H,5,8H2,1-3H3/t6?,10-/m1/s1 |
| InChIKey |
ZRKLXSWRVSKTSQ-PHUNFMHTSA-N |
| Molecular Weight |
196.246 g/mol |
| SMILES |
[C@@](C(=O)OCC)(C(=O)C)(CC=C=CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923333 |
