| SpectraBase Spectrum ID |
AFRe7Ifd9f5 |
| Name |
Isophthalic acid, cis-hex-3-enyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.151809184 u |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-3-5-6-7-12-21-17(19)15-10-8-9-14(13-15)16(18)20-11-4-2/h5-6,8-10,13H,3-4,7,11-12H2,1-2H3/b6-5- |
| InChIKey |
FOBIQWNQQYRDHL-WAYWQWQTSA-N |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCCC)C(OCC\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909896 |
