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3-(Benzothiazol-2-thio)-5(E)-octen-2-one
SpectraBase Compound ID Ej11ok1QS0j
InChI InChI=1S/C15H17NOS2/c1-3-4-5-9-13(11(2)17)18-15-16-12-8-6-7-10-14(12)19-15/h4-8,10,13H,3,9H2,1-2H3/b5-4+
InChIKey ORLGKFBQWPLSCS-SNAWJCMRSA-N
Mol Weight 291.43 g/mol
Molecular Formula C15H17NOS2
Exact Mass 291.075157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8vpQN41ADU
Name 3-(Benzothiazol-2-thio)-5(E)-octen-2-one
Alternate Name(s) (5E)-3-(1,3-benzothiazol-2-ylsulfanyl)-5-octen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NOS2
InChI InChI=1S/C15H17NOS2/c1-3-4-5-9-13(11(2)17)18-15-16-12-8-6-7-10-14(12)19-15/h4-8,10,13H,3,9H2,1-2H3/b5-4+
InChIKey ORLGKFBQWPLSCS-SNAWJCMRSA-N
Molecular Weight 291.427 g/mol
SMILES c1(nc2ccccc2s1)SC(C(=O)C)C\C=C\CC
SPLASH splash10-014l-3910000000-84a3ad4e82e8df1cefcc
Source of Spectrum F-52-2160-2
Wiley ID 795146