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Benzenemethanol, .alpha.-(1-chloropropyl)-.alpha.-phenyl-
SpectraBase Compound ID JjoUMcdRLdj
InChI InChI=1S/C16H17ClO/c1-2-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,2H2,1H3
InChIKey KOROJJAWTOUBBG-UHFFFAOYSA-N
Mol Weight 260.76 g/mol
Molecular Formula C16H17ClO
Exact Mass 260.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1D9Nx0AbvNj
Name Benzenemethanol, .alpha.-(1-chloropropyl)-.alpha.-phenyl-
Alternate Name(s) 2-chloro-1,1-diphenyl-1-butanol 2-Chloro-1,1-diphenylbutan-1-ol
CAS Registry Number 59855-97-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClO
InChI InChI=1S/C16H17ClO/c1-2-15(17)16(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,2H2,1H3
InChIKey KOROJJAWTOUBBG-UHFFFAOYSA-N
Molecular Weight 260.764 g/mol
SMILES OC(c1ccccc1)(c1ccccc1)C(Cl)CC
SPLASH splash10-0udi-0900000000-99ef567d0bbb994cb6eb
Source of Spectrum B-29-888-0
Wiley ID 1263949