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(+)-3-[(1S,6R)-6-(p-Tolylthio)bicyclo[4.1.0]heptyl]propanal
SpectraBase Compound ID 7NfLYEzEnqM
InChI InChI=1S/C17H22OS/c1-14-5-7-15(8-6-14)19-17-11-3-2-9-16(17,13-17)10-4-12-18/h5-8,12H,2-4,9-11,13H2,1H3/t16-,17+/m0/s1
InChIKey UZFRNAMXZIXWMD-DLBZAZTESA-N
Mol Weight 274.42 g/mol
Molecular Formula C17H22OS
Exact Mass 274.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYTHyCWOnUv
Name (+)-3-[(1S,6R)-6-(p-Tolylthio)bicyclo[4.1.0]heptyl]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22OS
InChI InChI=1S/C17H22OS/c1-14-5-7-15(8-6-14)19-17-11-3-2-9-16(17,13-17)10-4-12-18/h5-8,12H,2-4,9-11,13H2,1H3/t16-,17+/m0/s1
InChIKey UZFRNAMXZIXWMD-DLBZAZTESA-N
Molecular Weight 274.422 g/mol
SMILES [C@]12([C@](CCC=O)(CCCC2)C1)Sc1ccc(cc1)C
SPLASH splash10-0089-0290000000-ce409fa683d2003cbda5
Source of Spectrum F-53-609-10
Synonyms (+)-3-[(1R,6S)-6-(p-Tolylthio)bicyclo[4.1.0]heptyl]propanal 3-[(1S,6R)-6-(p-Tolylthio)bicyclo[4.1.0]heptan-1-yl]propanal 3-{(1S,6R)-6-[(4-methylphenyl)sulfanyl]bicyclo[4.1.0]hept-1-yl}propanal
Wiley ID 800059