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3-Methyl-3H-1,2-dithiole
SpectraBase Compound ID LMCODK8s1vW
InChI InChI=1S/C4H6S2/c1-4-2-3-5-6-4/h2-4H,1H3
InChIKey NKTXJFKBFZWDLD-UHFFFAOYSA-N
Mol Weight 118.21 g/mol
Molecular Formula C4H6S2
Exact Mass 117.991093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bp8285Yjmnu
Name 3-Methyl-3H-1,2-dithiole
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 117.991092541 u
Formula C4H6S2
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C4H6S2/c1-4-2-3-5-6-4/h2-4H,1H3
InChIKey NKTXJFKBFZWDLD-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 118.212 g/mol
Quality 1000
SMILES C1(SSC=C1)C
SPLASH splash10-0uy0-9200000000-2894a07cc82cf668826c
Source of Spectrum JAFC-70-SM13-13-2 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911492