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2-Naphthalenemethanol, .alpha.-[3-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [R*,S*-(E)]-
SpectraBase Compound ID HBQxSsnSM1s
InChI InChI=1S/C21H20O2S/c1-16-8-12-20(13-9-16)24(23)14-4-7-21(22)19-11-10-17-5-2-3-6-18(17)15-19/h2-6,8-15,21-22H,7H2,1H3/b14-4+
InChIKey CNLJXRRAZGWGPO-LNKIKWGQSA-N
Mol Weight 336.45 g/mol
Molecular Formula C21H20O2S
Exact Mass 336.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dYJzqFm5TN
Name 2-Naphthalenemethanol, .alpha.-[3-[(4-methylphenyl)sulfinyl]-2-propenyl]-, [R*,S*-(E)]-
CAS Registry Number 87448-35-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O2S
InChI InChI=1S/C21H20O2S/c1-16-8-12-20(13-9-16)24(23)14-4-7-21(22)19-11-10-17-5-2-3-6-18(17)15-19/h2-6,8-15,21-22H,7H2,1H3/b14-4+
InChIKey CNLJXRRAZGWGPO-LNKIKWGQSA-N
Molecular Weight 336.449 g/mol
SMILES OC(c1cc2ccccc2cc1)C\C=C\S(c1ccc(cc1)C)=O
SPLASH splash10-0bt9-0900000000-9f07d3bc0486fde6d760
Source of Spectrum B-36-1054-0
Synonyms (3E)-4-[(4-methylphenyl)sulfinyl]-1-(2-naphthyl)-3-buten-1-ol (E)-1-(2-naphthyl)-4-(p-methylbenzenesulfinyl)but-3-en-1-ol
Wiley ID 1332601