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4-METHYLTHIAN

View entire compound with spectra: 17 NMR, and 5 MS (GC)

4-METHYLTHIAN
SpectraBase Compound ID Emk13qmIRKy
InChI InChI=1S/C6H12S/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKey MCSVISNPQJAWJX-UHFFFAOYSA-N
Mol Weight 116.22 g/mol
Molecular Formula C6H12S
Exact Mass 116.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iTfCxsVoe
Name 2H-Thiopyran, tetrahydro-4-methyl-
CAS Registry Number 5161-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12S
InChI InChI=1S/C6H12S/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKey MCSVISNPQJAWJX-UHFFFAOYSA-N
Molecular Weight 116.222 g/mol
SMILES C1SCCC(C1)C
SPLASH splash10-0gba-9100000000-c0a596d4c1409bceb06c
Source of Spectrum AA-0-422-3
Synonyms Thiopyran, tetrahydro-4-methyl- 4-Methyltetrahydro-2H-thiopyran 4-Methyltetrahydrothiopyran 4-Methylthiacyclohexane 4-Methylthiane
Wiley ID 3597