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

View entire compound with spectra: 1 FTIR, and 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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 88XPywtQtH8
Name (4S,7S)-7-Isopropyl-4methyloxepane-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
SMILES C1(O[C@@](CC[C@@](C1)(C)[H])(C(C)C)[H])=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908703