| SpectraBase Spectrum ID |
FcOy59FNQvi |
| Name |
Phthalic acid, ethyl 3-methylbut-3-enyl 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/c1-4-18-14(16)12-7-5-6-8-13(12)15(17)19-10-9-11(2)3/h5-8H,2,4,9-10H2,1,3H3 |
| InChIKey |
VRCXGDPTZRWNCG-UHFFFAOYSA-N |
| Molecular Weight |
262.305 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCC)=O)C(OCCC(C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846949 |
