| SpectraBase Spectrum ID |
JQpxfjIrr87 |
| Name |
2-(5-Chloro-2-hydroxy-phenyl)succinic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.045151214 u |
| Formula |
C12H13ClO5 |
| InChI |
InChI=1S/C12H13ClO5/c1-17-11(15)6-9(12(16)18-2)8-5-7(13)3-4-10(8)14/h3-5,9,14H,6H2,1-2H3 |
| InChIKey |
YFNPJRBCKNRPOW-UHFFFAOYSA-N |
| Molecular Weight |
272.684 g/mol |
| SMILES |
C=1(C(C(=O)OC)CC(=O)OC)C(=CC=C(C1)Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958373 |
