| SpectraBase Spectrum ID |
LvokBmzNsHN |
| Name |
Isophthalic acid, cis-hex-3-enyl heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-3-5-7-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-8-6-4-2/h6,8,12-14,17H,3-5,7,9-11,15-16H2,1-2H3/b8-6- |
| InChIKey |
JSUXCRKEYWSBRB-VURMDHGXSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OCCCCCCC)C(OCC\C=C/CC)=O |
