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3,4,5,6-tetrahydro-2H-thiocin
SpectraBase Compound ID 1cPl5jDxVHU
InChI InChI=1S/C7H12S/c1-2-4-6-8-7-5-3-1/h4,6H,1-3,5,7H2/b6-4-
InChIKey RTOMXUBLKUNZSO-XQRVVYSFSA-N
Mol Weight 128.23 g/mol
Molecular Formula C7H12S
Exact Mass 128.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoVRcxwjcCn
Name 3,4,5,6-tetrahydro-2H-thiocin
CAS Registry Number 77566-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12S
InChI InChI=1S/C7H12S/c1-2-4-6-8-7-5-3-1/h4,6H,1-3,5,7H2/b6-4-
InChIKey RTOMXUBLKUNZSO-XQRVVYSFSA-N
Molecular Weight 128.233 g/mol
SMILES C1\C=C/SCCCC1
SPLASH splash10-002o-9200000000-6038cb61eda322ee2c2e
Source of Spectrum AC-1980-371-0
Synonyms (7Z)-3,4,5,6-tetrahydro-2H-thiocine
Wiley ID 1131438