SpectraBase Spectrum ID |
6lzKT28OT9r |
Name |
Benzeneacetic acid, 2-[(4-chlorophenyl)methoxy]-alpha-oxo-, methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.050236595 u |
Formula |
C16H13ClO4 |
InChI |
InChI=1S/C16H13ClO4/c1-20-16(19)15(18)13-4-2-3-5-14(13)21-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3 |
InChIKey |
FWICEDRVDWWOKC-UHFFFAOYSA-N |
Molecular Weight |
304.729 g/mol |
SMILES |
C1(=CC=C(C=C1)Cl)COC1=CC=CC=C1C(C(OC)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.966126 |