Debug Info

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2dasXDyR5zB
spectrumID
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2dasXDyR5zB
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Mass Spectrum (GC)
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1-(5-(Propylthio)thiophen-2-yl)ethanone
SpectraBase Compound ID HRWIN2RMqCw
InChI InChI=1S/C9H12OS2/c1-3-6-11-9-5-4-8(12-9)7(2)10/h4-5H,3,6H2,1-2H3
InChIKey ZBPIZMCMFJEJAG-UHFFFAOYSA-N
Mol Weight 200.31 g/mol
Molecular Formula C9H12OS2
Exact Mass 200.032957 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dasXDyR5zB
Name 1-(5-(Propylthio)thiophen-2-yl)ethanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS2
InChI InChI=1S/C9H12OS2/c1-3-6-11-9-5-4-8(12-9)7(2)10/h4-5H,3,6H2,1-2H3
InChIKey ZBPIZMCMFJEJAG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00208
Molecular Weight 200.314 g/mol
SMILES C(C)(c1ccc(s1)SCCC)=O
SPLASH splash10-0udl-0960000000-c043d754bfe27cf436b4
Source of Spectrum A1-18-876/SM11-2i
Synonyms 1-(5-(propylthio)thiophen-2-yl)ethan-1-one
Wiley ID 1805235
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