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2,3,4,5-Tetrahydrothiepin
SpectraBase Compound ID C4yrxvcdTD3
InChI InChI=1S/C6H10S/c1-2-4-6-7-5-3-1/h3,5H,1-2,4,6H2
InChIKey VRKPANGTGANDRQ-UHFFFAOYSA-N
Mol Weight 114.21 g/mol
Molecular Formula C6H10S
Exact Mass 114.050321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcwvqS33u5P
Name 2,3,4,5-Tetrahydrothiepin
Alternate Name(s) 2,3,4,5-Tetrahydrothiepine
CAS Registry Number 77566-13-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10S
InChI InChI=1S/C6H10S/c1-2-4-6-7-5-3-1/h3,5H,1-2,4,6H2
InChIKey VRKPANGTGANDRQ-UHFFFAOYSA-N
Molecular Weight 114.206 g/mol
SMILES C=1SCCCCC1
SPLASH splash10-03di-4900000000-e962511008eb216b9bf1
Source of Spectrum B-34-1032-0
Wiley ID 1124493