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1-[3-(Chloromethyl)phenyl]pentan-1-one
SpectraBase Compound ID A86v3gVegzL
InChI InChI=1S/C12H15ClO/c1-2-3-7-12(14)11-6-4-5-10(8-11)9-13/h4-6,8H,2-3,7,9H2,1H3
InChIKey VRXWTTSUKLGERE-UHFFFAOYSA-N
Mol Weight 210.7 g/mol
Molecular Formula C12H15ClO
Exact Mass 210.081143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OhhVSF3GPg
Name 1-[3-(Chloromethyl)phenyl]pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClO
InChI InChI=1S/C12H15ClO/c1-2-3-7-12(14)11-6-4-5-10(8-11)9-13/h4-6,8H,2-3,7,9H2,1H3
InChIKey VRXWTTSUKLGERE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol7030697
Molecular Weight 210.704 g/mol
SMILES c1(C(CCCC)=O)cc(CCl)ccc1
SPLASH splash10-0udi-0900000000-7fd2fd1370858c3c0ccc
Source of Spectrum A1-10-1107/SM5-2g
Synonyms 1-(3-(chloromethyl)phenyl)pentan-1-one
Wiley ID 1759175