SpectraBase Spectrum ID |
3FkavaPX02R |
Name |
Terephthalic acid, isohexyl 2-methoxyethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
308.162373868 u |
Formula |
C17H24O5 |
InChI |
InChI=1S/C17H24O5/c1-13(2)5-4-10-21-16(18)14-6-8-15(9-7-14)17(19)22-12-11-20-3/h6-9,13H,4-5,10-12H2,1-3H3 |
InChIKey |
PAIIEXYVMIDCJG-UHFFFAOYSA-N |
SMILES |
C(C1=CC=C(C=C1)C(OCCCC(C)C)=O)(OCCOC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894167 |