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2(5H)-Thiophenone
SpectraBase Compound ID F0RpYtyhBCv
InChI InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKey NMSLUAZZTFUUFZ-UHFFFAOYSA-N
Mol Weight 100.13 g/mol
Molecular Formula C4H4OS
Exact Mass 99.998286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oEuIn3k6K1
Name 2(5H)-Thiophenone
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 99.998285922 u
Formula C4H4OS
GC Column DB-5ms (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKey NMSLUAZZTFUUFZ-UHFFFAOYSA-N
Instrument Name Agilent series 7890B
Ionization Type EI
Literature Reference DOI 10.1021/acs.jafc.1c04415
Molecular Weight 100.135 g/mol
Quality 999
SMILES C1SC(C=C1)=O
SPLASH splash10-001i-9100000000-8a58cbd50e50efa0a529
Source of Spectrum JAFC-70-SM12-12-2 (DOI: 10.1021/acs.jafc.1c04415)
Wiley ID 1911490