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3-Methylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester

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3-Methylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester
SpectraBase Compound ID Ers9ep2fhtC
InChI InChI=1S/C15H10Cl2O3/c1-9-3-2-4-10(5-9)15(19)20-14-11(8-18)6-12(16)7-13(14)17/h2-8H,1H3
InChIKey GVOCTROSXWICTQ-UHFFFAOYSA-N
Mol Weight 309.15 g/mol
Molecular Formula C15H10Cl2O3
Exact Mass 308.0007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FQuSINW0OJ6
Name 3-Methylbenzoic acid, 2-formyl-4,6-dichlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.000699579 u
Formula C15H10Cl2O3
InChI InChI=1S/C15H10Cl2O3/c1-9-3-2-4-10(5-9)15(19)20-14-11(8-18)6-12(16)7-13(14)17/h2-8H,1H3
InChIKey GVOCTROSXWICTQ-UHFFFAOYSA-N
Molecular Weight 309.148 g/mol
SMILES C(C1=CC(=CC=C1)C)(OC1=C(C=C(C=C1Cl)Cl)C=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859503