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Carbonic acid, butyl 4-chloro-2-methylphenyl ester

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Carbonic acid, butyl 4-chloro-2-methylphenyl ester
SpectraBase Compound ID 1wRpGn865yO
InChI InChI=1S/C12H15ClO3/c1-3-4-7-15-12(14)16-11-6-5-10(13)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3
InChIKey WWZAXMJBZRVMJW-UHFFFAOYSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BCGeVPxUKCW
Name Carbonic acid, butyl 4-chloro-2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.070972040 u
Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-3-4-7-15-12(14)16-11-6-5-10(13)8-9(11)2/h5-6,8H,3-4,7H2,1-2H3
InChIKey WWZAXMJBZRVMJW-UHFFFAOYSA-N
Molecular Weight 242.702 g/mol
SMILES C(OCCCC)(=O)OC1=CC=C(C=C1C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848468