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Dichlorphen, o-isovaleryl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Dichlorphen, o-isovaleryl-
SpectraBase Compound ID GViHSRu6Y23
InChI InChI=1S/C18H18Cl2O3/c1-11(2)7-18(22)23-17-6-4-15(20)10-13(17)8-12-9-14(19)3-5-16(12)21/h3-6,9-11,21H,7-8H2,1-2H3
InChIKey HQWCCOALJIAXON-UHFFFAOYSA-N
Mol Weight 353.25 g/mol
Molecular Formula C18H18Cl2O3
Exact Mass 352.0633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3nbpc2BbemH
Name Dichlorphen, o-isovaleryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.063299837 u
Formula C18H18Cl2O3
InChI InChI=1S/C18H18Cl2O3/c1-11(2)7-18(22)23-17-6-4-15(20)10-13(17)8-12-9-14(19)3-5-16(12)21/h3-6,9-11,21H,7-8H2,1-2H3
InChIKey HQWCCOALJIAXON-UHFFFAOYSA-N
Molecular Weight 353.245 g/mol
SMILES CC(CC(=O)OC1=C(C=C(C=C1)Cl)CC1=CC(=CC=C1O)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842832