| SpectraBase Spectrum ID |
4YkxivMeVsy |
| Name |
Terephthalic acid, but-3-enyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.120509056 u |
| Formula |
C15H18O4 |
| InChI |
InChI=1S/C15H18O4/c1-3-5-11-19-15(17)13-8-6-12(7-9-13)14(16)18-10-4-2/h3,6-9H,1,4-5,10-11H2,2H3 |
| InChIKey |
CKYKRJSNKQFRSU-UHFFFAOYSA-N |
| Molecular Weight |
262.305 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCC)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953785 |
