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4-Acetyl-2'-butyl-4'-[4-(tetrahydropyranyloxy)butyl]-6'-hydroxymethylbiphenyl
SpectraBase Compound ID JCbEfO9TRxH
InChI InChI=1S/C28H38O4/c1-3-4-10-25-18-22(9-5-7-16-31-27-11-6-8-17-32-27)19-26(20-29)28(25)24-14-12-23(13-15-24)21(2)30/h12-15,18-19,27,29H,3-11,16-17,20H2,1-2H3
InChIKey WRUYDWQSLITRPS-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tRdwbl91P
Name 4-Acetyl-2'-butyl-4'-[4-(tetrahydropyranyloxy)butyl]-6'-hydroxymethylbiphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-3-4-10-25-18-22(9-5-7-16-31-27-11-6-8-17-32-27)19-26(20-29)28(25)24-14-12-23(13-15-24)21(2)30/h12-15,18-19,27,29H,3-11,16-17,20H2,1-2H3
InChIKey WRUYDWQSLITRPS-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES OCc1c(c(CCCC)cc(c1)CCCCOC1OCCCC1)-c1ccc(cc1)C(=O)C
SPLASH splash10-0udr-0009000000-a9df37bd28d1ed8d1784
Source of Spectrum KC-61-11507-9
Synonyms 1-{2'-butyl-6'-(hydroxymethyl)-4'-[4-(tetrahydro-2H-pyran-2-yloxy)butyl][1,1'-biphenyl]-4-yl}ethanone
Wiley ID 1631482