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2-Thiothinone-A (-2H)
SpectraBase Compound ID 4mmE7SCOYeM
InChI InChI=1S/C8H9NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-5,9H,1H2,2H3
InChIKey QIRPWHVKHNVVOJ-UHFFFAOYSA-N
Mol Weight 167.23 g/mol
Molecular Formula C8H9NOS
Exact Mass 167.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGusGsQGxiC
Name 2-Thiothinone-A (-2H)
Classification Designer drug artifact
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 167.040485087 u
Formula C8H9NOS
InChI InChI=1S/C8H9NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-5,9H,1H2,2H3
InChIKey QIRPWHVKHNVVOJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 167.226 g/mol
Nominal Mass 167 u
Quality 990
Retention Index 1361
SMILES C(C=1SC=CC1)(C(NC)=C)=O
SPLASH splash10-0a4i-9000000000-60b10d8e5b485526c2c0
Sample Comments Position of pi-bond uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms MTP-A (-2H) 2-(Methylamino)-1-(thiophen-2-yl)prop-2-en-1-one
Technique GC/MS
Wiley ID DD2024_029168