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Bicyclo[3.1.1]heptane, 6-(ethylthio)-, (1.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID IyYYC123Obt
InChI InChI=1S/C9H16S/c1-2-10-9-7-4-3-5-8(9)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-
InChIKey CJOZKVQNTJLSAP-AYMMMOKOSA-N
Mol Weight 156.29 g/mol
Molecular Formula C9H16S
Exact Mass 156.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gX1cLzWBWK
Name Bicyclo[3.1.1]heptane, 6-(ethylthio)-, (1.alpha.,5.alpha.,6.beta.)-
Alternate Name(s) (1R,5S)-6-(ethylsulfanyl)bicyclo[3.1.1]heptane (1R,5S)-bicyclo[3.1.1]hept-6-yl ethyl sulfide 6-endo-(ethylthio)norpinan
CAS Registry Number 67079-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16S
InChI InChI=1S/C9H16S/c1-2-10-9-7-4-3-5-8(9)6-7/h7-9H,2-6H2,1H3/t7-,8+,9-
InChIKey CJOZKVQNTJLSAP-AYMMMOKOSA-N
Molecular Weight 156.287 g/mol
SMILES [C@@]12([C@](SCC)([C@](C2)([H])CCC1)[H])[H]
SPLASH splash10-004i-4900000000-3a7a02fc92ce6b378f95
Source of Spectrum K-111-1933-0
Wiley ID 1153946