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Bicyclo[3.1.1]heptane, 6-(methylthio)-, (1.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID 9DK8pxCLDtq
InChI InChI=1S/C8H14S/c1-9-8-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+,8-
InChIKey FWRGFCJWDUMTNK-RNLVFQAGSA-N
Mol Weight 142.26 g/mol
Molecular Formula C8H14S
Exact Mass 142.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I44XuLuZ83d
Name Bicyclo[3.1.1]heptane, 6-(methylthio)-, (1.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 67079-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14S
InChI InChI=1S/C8H14S/c1-9-8-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+,8-
InChIKey FWRGFCJWDUMTNK-RNLVFQAGSA-N
Molecular Weight 142.260 g/mol
SMILES [C@@]12([C@](SC)([C@](C2)([H])CCC1)[H])[H]
SPLASH splash10-00bl-6900000000-4e8299d910145deec6ec
Source of Spectrum K-111-1933-0
Synonyms (1R,5S)-6-(methylsulfanyl)bicyclo[3.1.1]heptane (1R,5S)-bicyclo[3.1.1]hept-6-yl methyl sulfide 6-endo-(methylthio)norpinan
Wiley ID 1141316