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Carbonic acid, 2,5-dichlorophenyl propyl ester

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Carbonic acid, 2,5-dichlorophenyl propyl ester
SpectraBase Compound ID DiwIEgFMaKz
InChI InChI=1S/C10H10Cl2O3/c1-2-5-14-10(13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3
InChIKey YGHGTPWJFHDGCI-UHFFFAOYSA-N
Mol Weight 249.09 g/mol
Molecular Formula C10H10Cl2O3
Exact Mass 248.0007 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3oUGYIwEhrQ
Name Carbonic acid, 2,5-dichlorophenyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.000699579 u
Formula C10H10Cl2O3
InChI InChI=1S/C10H10Cl2O3/c1-2-5-14-10(13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3
InChIKey YGHGTPWJFHDGCI-UHFFFAOYSA-N
Molecular Weight 249.093 g/mol
SMILES CCCOC(OC1=CC(=CC=C1Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881145