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5-Chloro-2-keto-chromene-3-carboxylic acid methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Chloro-2-keto-chromene-3-carboxylic acid methyl ester
SpectraBase Compound ID DoMdnjY3RZV
InChI InChI=1S/C11H7ClO4/c1-15-10(13)7-5-6-8(12)3-2-4-9(6)16-11(7)14/h2-5H,1H3
InChIKey NHYZBJWECGQVBM-UHFFFAOYSA-N
Mol Weight 238.63 g/mol
Molecular Formula C11H7ClO4
Exact Mass 238.003286 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92Qod37pCdq
Name 5-Chloro-2-keto-chromene-3-carboxylic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.003286401 u
Formula C11H7ClO4
InChI InChI=1S/C11H7ClO4/c1-15-10(13)7-5-6-8(12)3-2-4-9(6)16-11(7)14/h2-5H,1H3
InChIKey NHYZBJWECGQVBM-UHFFFAOYSA-N
Molecular Weight 238.626 g/mol
SMILES C1(C(=CC=2C(=CC=CC2O1)Cl)C(=O)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962984