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3-PENTEN-1-YNE, 5-(METHYLTHIO)-
SpectraBase Compound ID 5mgCOBbxQGY
InChI InChI=1S/C6H8S/c1-3-4-5-6-7-2/h1,4-5H,6H2,2H3/b5-4+
InChIKey KDMZBGQSTCVXCG-SNAWJCMRSA-N
Mol Weight 112.19 g/mol
Molecular Formula C6H8S
Exact Mass 112.034671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81dU4AUMldQ
Name 3-PENTEN-1-YNE, 5-(METHYLTHIO)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Exact Mass 112.034671432 u
Formula C6H8S
InChI InChI=1S/C6H8S/c1-3-4-5-6-7-2/h1,4-5H,6H2,2H3/b5-4+
InChIKey KDMZBGQSTCVXCG-SNAWJCMRSA-N
Molecular Weight 112.190 g/mol
Nominal Mass 112 u
Number of Peaks 68
SMILES C#C\C=C\CSC
SPLASH splash10-00kk-9000000000-cf4843c215a4a5825856
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX_001589