| SpectraBase Spectrum ID |
8GgQNSdQbed |
| Name |
Isophthalic acid, oct-3-en-2-yl pentyl 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/c1-4-6-8-9-12-17(3)25-21(23)19-14-11-13-18(16-19)20(22)24-15-10-7-5-2/h9,11-14,16-17H,4-8,10,15H2,1-3H3/b12-9+ |
| InChIKey |
SIUBVVWMGUIHFX-FMIVXFBMSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C1(=CC(=CC=C1)C(OCCCCC)=O)C(OC(\C=C\CCCC)C)=O |
