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(4S,7S)-7-isopropyl-4-methyloxepane-2-thione

View entire compound with spectra: 2 MS (GC)

(4S,7S)-7-isopropyl-4-methyloxepane-2-thione
SpectraBase Compound ID JcwbNkRi9Aj
InChI InChI=1S/C10H18OS/c1-7(2)9-5-4-8(3)6-10(12)11-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKey HRMAROUHNNJJLG-IUCAKERBSA-N
Mol Weight 186.31 g/mol
Molecular Formula C10H18OS
Exact Mass 186.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALUKh4N5mIo
Name (4S,7S)-7-isopropyl-4methyloxepane-2-thione
Classification Oxepanes
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 186.107836373 u
Formula C10H18OS
InChI InChI=1S/C10H18OS/c1-7(2)9-5-4-8(3)6-10(12)11-9/h7-9H,4-6H2,1-3H3/t8-,9-/m0/s1
InChIKey HRMAROUHNNJJLG-IUCAKERBSA-N
Molecular Weight 186.313 g/mol
Number of Peaks 14
SMILES C1(O[C@@](CC[C@@](C1)(C)[H])(C(C)C)[H])=S
SPLASH splash10-05mo-9100000000-377935e119c7eac4b09f
Source of Spectrum FF-21-178-17' (DOI: 10.1002/ffj.1559)
Synonyms Iso-menthone thionolactone (4S,7S)-7-isopropyl-4-methyloxepane-2-thione
Wiley ID 1775439