| SpectraBase Spectrum ID |
3YKl4FQoUwi |
| Name |
Terephthalic acid, 2-chlorophenyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.097186788 u |
| Formula |
C19H19ClO4 |
| InChI |
InChI=1S/C19H19ClO4/c1-2-3-6-13-23-18(21)14-9-11-15(12-10-14)19(22)24-17-8-5-4-7-16(17)20/h4-5,7-12H,2-3,6,13H2,1H3 |
| InChIKey |
SMBFLAIRONLQSS-UHFFFAOYSA-N |
| Molecular Weight |
346.810 g/mol |
| SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)OC=1C=CC=CC1Cl)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907147 |
