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Carbonic acid, isobutyl 4-chlorophenyl ester

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Carbonic acid, isobutyl 4-chlorophenyl ester
SpectraBase Compound ID 1jseghb6v46
InChI InChI=1S/C11H13ClO3/c1-8(2)7-14-11(13)15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey SEKFJAYSWQQDNE-UHFFFAOYSA-N
Mol Weight 228.67 g/mol
Molecular Formula C11H13ClO3
Exact Mass 228.055322 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DhxgTc9PzVM
Name Carbonic acid, isobutyl 4-chlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.055321976 u
Formula C11H13ClO3
InChI InChI=1S/C11H13ClO3/c1-8(2)7-14-11(13)15-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey SEKFJAYSWQQDNE-UHFFFAOYSA-N
Molecular Weight 228.675 g/mol
SMILES CC(COC(=O)OC1=CC=C(C=C1)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931951