SpectraBase Spectrum ID |
Kl4TaID9zVK |
Name |
Terephthalic acid, butyl 3-methylpentyl 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/c1-4-6-12-21-17(19)15-7-9-16(10-8-15)18(20)22-13-11-14(3)5-2/h7-10,14H,4-6,11-13H2,1-3H3 |
InChIKey |
LUBSJCNTDHSIBW-UHFFFAOYSA-N |
Molecular Weight |
306.402 g/mol |
SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(OCCC(CC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959359 |