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(5R,6R)-6,9-dihydro-5-(methylsulfanyl)-6-phenyl-5H-benzo[7]annulene
SpectraBase Compound ID CoXj0cU0TAp
InChI InChI=1S/C18H18S/c1-19-18-16-12-6-5-10-15(16)11-7-13-17(18)14-8-3-2-4-9-14/h2-10,12-13,17-18H,11H2,1H3/t17-,18+/m1/s1
InChIKey UCZHXAAJXMIATL-MSOLQXFVSA-N
Mol Weight 266.4 g/mol
Molecular Formula C18H18S
Exact Mass 266.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gcl7dZSGKnw
Name (5R,6R)-6,9-dihydro-5-(methylsulfanyl)-6-phenyl-5H-benzo[7]annulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18S
InChI InChI=1S/C18H18S/c1-19-18-16-12-6-5-10-15(16)11-7-13-17(18)14-8-3-2-4-9-14/h2-10,12-13,17-18H,11H2,1H3/t17-,18+/m1/s1
InChIKey UCZHXAAJXMIATL-MSOLQXFVSA-N
Literature Reference DOI 10.1002/hlca.201200653
Molecular Weight 266.402 g/mol
SMILES c1cc2c(cc1)[C@@]([C@](C=CC2)(c1ccccc1)[H])(SC)[H]
SPLASH splash10-014i-1090000000-a13d977950e0494c6d42
Source of Spectrum H-96-1711-4a
Synonyms Methyl((5R,6R)-6-phenyl-6,9-dihydro-5H-benzo[7]annulen-5-yl)sulfane
Wiley ID 1784785