| SpectraBase Spectrum ID |
Gf1f6WDph6J |
| Name |
Isophthalic acid, butyl hexyl 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/c1-3-5-7-8-13-22-18(20)16-11-9-10-15(14-16)17(19)21-12-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3 |
| InChIKey |
CZVFCXRQARVUNY-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C(CCCOC(C1=CC(C(OCCCC)=O)=CC=C1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962058 |
