| SpectraBase Spectrum ID |
1arGX0PYx6G |
| Name |
(S)-Methyl 3-(4-methoxyphenyl)pent-4-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-4-10(9-13(14)16-3)11-5-7-12(15-2)8-6-11/h4-8,10H,1,9H2,2-3H3/t10-/m1/s1 |
| InChIKey |
DAPQYQLNOPVIEN-SNVBAGLBSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC)[C@@](CC(OC)=O)(C=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932321 |
