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3-[(1S,6R)-6-(4-methylphenyl)sulfanyl-1-bicyclo[4.1.0]heptanyl]propan-1-ol
SpectraBase Compound ID 1x2qS0Kfzef
InChI InChI=1S/C17H24OS/c1-14-5-7-15(8-6-14)19-17-11-3-2-9-16(17,13-17)10-4-12-18/h5-8,18H,2-4,9-13H2,1H3/t16-,17+/m0/s1
InChIKey SAASCMHVYCTWDR-DLBZAZTESA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4u9orEWvat
Name 3-[(1S,6R)-6-(4-methylphenyl)sulfanyl-1-bicyclo[4.1.0]heptanyl]propan-1-ol
Alternate Name(s) 3-[(1S,6R)-6-(p-tolylsulfanyl)norcaran-1-yl]propan-1-ol 3-[(1S,6R)-6-(p-tolylthio)norcaran-1-yl]propan-1-ol 3-[(1S,6R)-6-[(4-methylphenyl)thio]-1-bicyclo[4.1.0]heptanyl]-1-propanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-14-5-7-15(8-6-14)19-17-11-3-2-9-16(17,13-17)10-4-12-18/h5-8,18H,2-4,9-13H2,1H3/t16-,17+/m0/s1
InChIKey SAASCMHVYCTWDR-DLBZAZTESA-N
Molecular Weight 276.438 g/mol
SMILES OCCC[C@@]12[C@@](C2)(Sc2ccc(cc2)C)CCCC1
SPLASH splash10-00xr-0790000000-e0c252f607c099d7aa08
Source of Spectrum E1-43-1863-6
Wiley ID 1553203