| SpectraBase Spectrum ID |
163RPhdTgyt |
| Name |
Terephthalic acid, but-3-enyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.104858991 u |
| Formula |
C14H16O4 |
| InChI |
InChI=1S/C14H16O4/c1-3-5-10-18-14(16)12-8-6-11(7-9-12)13(15)17-4-2/h3,6-9H,1,4-5,10H2,2H3 |
| InChIKey |
KJIHSRJQMXXEGN-UHFFFAOYSA-N |
| Molecular Weight |
248.278 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919604 |
