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1-(4-Chlorophenyl)-2-octanone
SpectraBase Compound ID B8hlPgeJWgr
InChI InChI=1S/C14H19ClO/c1-2-3-4-5-6-14(16)11-12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3
InChIKey ZNSMHCGMYZQYPQ-UHFFFAOYSA-N
Mol Weight 238.76 g/mol
Molecular Formula C14H19ClO
Exact Mass 238.112443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAbb06YfQQx
Name 1-(4-Chlorophenyl)-2-octanone
CAS Registry Number 95110-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19ClO
InChI InChI=1S/C14H19ClO/c1-2-3-4-5-6-14(16)11-12-7-9-13(15)10-8-12/h7-10H,2-6,11H2,1H3
InChIKey ZNSMHCGMYZQYPQ-UHFFFAOYSA-N
Molecular Weight 238.758 g/mol
SMILES C(=O)(Cc1ccc(cc1)Cl)CCCCCC
SPLASH splash10-03di-0900000000-513b7f5d41a9bcea3987
Source of Spectrum AJ-58-1989-5
Wiley ID 1240714