| SpectraBase Spectrum ID |
IcxfiLoBjH4 |
| Name |
Glutaric acid, 2,3-dichlorophenyl but-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.042564391 u |
| Formula |
C15H16Cl2O4 |
| InChI |
InChI=1S/C15H16Cl2O4/c1-2-3-10-20-13(18)8-5-9-14(19)21-12-7-4-6-11(16)15(12)17/h2-4,6-7H,5,8-10H2,1H3/b3-2+ |
| InChIKey |
FYFJOVRHLWPSHD-NSCUHMNNSA-N |
| Molecular Weight |
331.195 g/mol |
| SMILES |
C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869597 |
