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4-Acetyl-4'-butyl-6'-(hydroxymethyl)-2'-(3-chloropropyl)biphenyl
SpectraBase Compound ID L3yFY2WFEC5
InChI InChI=1S/C22H27ClO2/c1-3-4-6-17-13-20(7-5-12-23)22(21(14-17)15-24)19-10-8-18(9-11-19)16(2)25/h8-11,13-14,24H,3-7,12,15H2,1-2H3
InChIKey NRYVDOBSQUISJD-UHFFFAOYSA-N
Mol Weight 358.91 g/mol
Molecular Formula C22H27ClO2
Exact Mass 358.169958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFGccJiKIAj
Name 4-Acetyl-4'-butyl-6'-(hydroxymethyl)-2'-(3-chloropropyl)biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27ClO2
InChI InChI=1S/C22H27ClO2/c1-3-4-6-17-13-20(7-5-12-23)22(21(14-17)15-24)19-10-8-18(9-11-19)16(2)25/h8-11,13-14,24H,3-7,12,15H2,1-2H3
InChIKey NRYVDOBSQUISJD-UHFFFAOYSA-N
Molecular Weight 358.909 g/mol
SMILES OCc1c(c(CCCCl)cc(c1)CCCC)-c1ccc(cc1)C(=O)C
SPLASH splash10-0aor-0019000000-f0e73dad26fa7b4de95d
Source of Spectrum KC-61-11509-9
Synonyms 1-[4'-butyl-2'-(3-chloropropyl)-6'-(hydroxymethyl)[1,1'-biphenyl]-4-yl]ethanone 4-Acetyl-4'-butyl-6'-(1-hydroxyethyl)-2'-(3-chloropropyl)biphenyl
Wiley ID 1631473