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1,2-Benzenediol, o-(5-chlorovaleryl)-

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1,2-Benzenediol, o-(5-chlorovaleryl)-
SpectraBase Compound ID IJbm2MkUL5K
InChI InChI=1S/C11H13ClO3/c12-8-4-3-7-11(14)15-10-6-2-1-5-9(10)13/h1-2,5-6,13H,3-4,7-8H2
InChIKey ZFLTYGVBPJUIBL-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 3d54T7J0K7U
Name 1,2-Benzenediol, o-(5-chlorovaleryl)-
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/c12-8-4-3-7-11(14)15-10-6-2-1-5-9(10)13/h1-2,5-6,13H,3-4,7-8H2
InChIKey ZFLTYGVBPJUIBL-UHFFFAOYSA-N
Molecular Weight 228.675 g/mol
SMILES C(CCCC(OC1=CC=CC=C1O)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915503