| SpectraBase Spectrum ID |
8O8aICgkvxh |
| Name |
Isophthalic acid, pentyl 2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-4-6-7-12-21-17(19)15-10-8-11-16(13-15)18(20)22-14(3)9-5-2/h8,10-11,13-14H,4-7,9,12H2,1-3H3 |
| InChIKey |
MVPTZXKODTXALE-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923137 |
