| SpectraBase Spectrum ID |
46K2aE4rxSs |
| Name |
Methyl 4-(ethoxycarbonyl)-2-vinylidenehept-6-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.120509056 u |
| Formula |
C13H18O4 |
| InChI |
InChI=1S/C13H18O4/c1-5-8-11(13(15)17-7-3)9-10(6-2)12(14)16-4/h5,11H,1-2,7-9H2,3-4H3 |
| InChIKey |
UMUAFNREUSACSS-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| SMILES |
C(C(CC(CC=C)C(=O)OCC)=C=C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933543 |
