| SpectraBase Spectrum ID |
3wVTCUCMp6K |
| Name |
Phthalic acid, 3-methylbut-3-enyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.136159120 u |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-4-10-19-15(17)13-7-5-6-8-14(13)16(18)20-11-9-12(2)3/h5-8H,2,4,9-11H2,1,3H3 |
| InChIKey |
JRNSWZSRAFPHKP-UHFFFAOYSA-N |
| SMILES |
C1(=CC=CC=C1C(OCCC)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851883 |
