SpectraBase Spectrum ID |
931idaZaERy |
Name |
Glutaric acid, 3-chlorophenyl 2-methoxyphenyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
348.076451342 u |
Formula |
C18H17ClO5 |
InChI |
InChI=1S/C18H17ClO5/c1-22-15-8-2-3-9-16(15)24-18(21)11-5-10-17(20)23-14-7-4-6-13(19)12-14/h2-4,6-9,12H,5,10-11H2,1H3 |
InChIKey |
CXHYOVDNXYIHBH-UHFFFAOYSA-N |
Molecular Weight |
348.782 g/mol |
SMILES |
C(CCC(OC1=CC(=CC=C1)Cl)=O)C(OC1=CC=CC=C1OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959838 |