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Clofoctol, methyl ether

View entire compound with spectra: 1 FTIR

Clofoctol, methyl ether
SpectraBase Compound ID 4WbE3n9mURi
InChI InChI=1S/C22H28Cl2O/c1-21(2,3)14-22(4,5)17-8-10-20(25-6)16(12-17)11-15-7-9-18(23)13-19(15)24/h7-10,12-13H,11,14H2,1-6H3
InChIKey WCOGVAKQAAUJCO-UHFFFAOYSA-N
Mol Weight 379.37 g/mol
Molecular Formula C22H28Cl2O
Exact Mass 378.151721 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EWmd6AE7YUa
Name Clofoctol, methyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.151720921 u
Formula C22H28Cl2O
InChI InChI=1S/C22H28Cl2O/c1-21(2,3)14-22(4,5)17-8-10-20(25-6)16(12-17)11-15-7-9-18(23)13-19(15)24/h7-10,12-13H,11,14H2,1-6H3
InChIKey WCOGVAKQAAUJCO-UHFFFAOYSA-N
Molecular Weight 379.371 g/mol
SMILES C1(=CC(=CC=C1OC)C(C)(C)CC(C)(C)C)CC1=C(C=C(C=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960523