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(E)-4-benzylidene-6-chlorohexan-3-one
SpectraBase Compound ID HnLQl8f3eKE
InChI InChI=1S/C13H15ClO/c1-2-13(15)12(8-9-14)10-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/b12-10+
InChIKey YHCBYEWZDZYZLI-ZRDIBKRKSA-N
Mol Weight 222.71 g/mol
Molecular Formula C13H15ClO
Exact Mass 222.081143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cJJKiP0oi
Name (E)-4-benzylidene-6-chlorohexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClO
InChI InChI=1S/C13H15ClO/c1-2-13(15)12(8-9-14)10-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3/b12-10+
InChIKey YHCBYEWZDZYZLI-ZRDIBKRKSA-N
Literature Reference DOI 10.1021/ol070331h
Molecular Weight 222.715 g/mol
SMILES C(\C(C(=O)CC)=C/c1ccccc1)CCl
SPLASH splash10-002f-0920000000-df6d1c671560782826f5
Source of Spectrum A1-9-1667/SMS6-E_2n
Synonyms (4E)-6-chloro-4-(phenylmethylene)-3-hexanone (4E)-4-benzylidene-6-chlorohexan-3-one (4E)-4-benzylidene-6-chloro-hexan-3-one (4E)-6-chloranyl-4-(phenylmethylidene)hexan-3-one
Wiley ID 1758077