| SpectraBase Spectrum ID |
Fod04y3UQkg |
| Name |
Terephthalic acid, butyl 4-chloro-2-methylbenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.112836852 u |
| Formula |
C20H21ClO4 |
| InChI |
InChI=1S/C20H21ClO4/c1-3-4-11-24-19(22)15-5-7-16(8-6-15)20(23)25-13-17-9-10-18(21)12-14(17)2/h5-10,12H,3-4,11,13H2,1-2H3 |
| InChIKey |
LESRCXXYAGXCSW-UHFFFAOYSA-N |
| Molecular Weight |
360.837 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCCCC)=O)C(=O)OCC=1C=CC(=CC1C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928527 |
