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3-(Benzothiazol-2-thio)-3,5-dimethyl-5-hexen-2-one
SpectraBase Compound ID M2pxZ0Pm74
InChI InChI=1S/C15H17NOS2/c1-10(2)9-15(4,11(3)17)19-14-16-12-7-5-6-8-13(12)18-14/h5-8H,1,9H2,2-4H3
InChIKey ARASSNDEHIDQBJ-UHFFFAOYSA-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 FMrNSMWgXYy
Name 3-(Benzothiazol-2-thio)-3,5-dimethyl-5-hexen-2-one
Alternate Name(s) 3-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dimethyl-5-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NOS2
InChI InChI=1S/C15H17NOS2/c1-10(2)9-15(4,11(3)17)19-14-16-12-7-5-6-8-13(12)18-14/h5-8H,1,9H2,2-4H3
InChIKey ARASSNDEHIDQBJ-UHFFFAOYSA-N
Molecular Weight 291.427 g/mol
SMILES c1(nc2ccccc2s1)SC(C(=O)C)(CC(=C)C)C
SPLASH splash10-014i-2920000000-911367c0e2e82064ebcb
Source of Spectrum F-52-2161-2
Wiley ID 795143