SpectraBase Spectrum ID |
C71Ls9CXD7e |
Name |
Terephthalic acid, 2-octyl propyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
320.198759378 u |
Formula |
C19H28O4 |
InChI |
InChI=1S/C19H28O4/c1-4-6-7-8-9-15(3)23-19(21)17-12-10-16(11-13-17)18(20)22-14-5-2/h10-13,15H,4-9,14H2,1-3H3 |
InChIKey |
ZYEOMCFZGJOIOD-UHFFFAOYSA-N |
Molecular Weight |
320.429 g/mol |
SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)OC(C)CCCCCC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933171 |