| SpectraBase Spectrum ID |
D5do1SaioHJ |
| Name |
Terephthalic acid, 2-chlorophenyl hexyl 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/c1-2-3-4-7-14-24-19(22)15-10-12-16(13-11-15)20(23)25-18-9-6-5-8-17(18)21/h5-6,8-13H,2-4,7,14H2,1H3 |
| InChIKey |
FBWZHKOHGSACJQ-UHFFFAOYSA-N |
| Molecular Weight |
360.837 g/mol |
| SMILES |
CCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811964 |
