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[1,1'-Biphenyl]-2-methanol, .alpha.-[3-bromo-5-(1-methylethyl)phenyl]-.alpha.-2-propenyl-
SpectraBase Compound ID IyyktjV1bRm
InChI InChI=1S/C25H25BrO/c1-4-14-25(27,21-15-20(18(2)3)16-22(26)17-21)24-13-9-8-12-23(24)19-10-6-5-7-11-19/h4-13,15-18,27H,1,14H2,2-3H3
InChIKey WXMRKWLJYAHJOB-UHFFFAOYSA-N
Mol Weight 421.38 g/mol
Molecular Formula C25H25BrO
Exact Mass 420.108878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 691DNigc89e
Name [1,1'-Biphenyl]-2-methanol, .alpha.-[3-bromo-5-(1-methylethyl)phenyl]-.alpha.-2-propenyl-
CAS Registry Number 112930-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25BrO
InChI InChI=1S/C25H25BrO/c1-4-14-25(27,21-15-20(18(2)3)16-22(26)17-21)24-13-9-8-12-23(24)19-10-6-5-7-11-19/h4-13,15-18,27H,1,14H2,2-3H3
InChIKey WXMRKWLJYAHJOB-UHFFFAOYSA-N
Molecular Weight 421.378 g/mol
SMILES OC(c1cc(C(C)C)cc(c1)Br)(c1c(-c2ccccc2)cccc1)CC=C
SPLASH splash10-001i-0907000000-3fdd52b566e1b0789faa
Source of Spectrum B-40-1121-11
Synonyms 1-(biphenyl-2'-yl)-1-(3''-bromo-5''-isopropylphenyl)but-3-en-1-ol 1-[1,1'-biphenyl]-2-yl-1-(3-bromo-5-isopropylphenyl)-3-buten-1-ol
Wiley ID 1378063