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3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-5-hexen-2-one
SpectraBase Compound ID 5wJrDLKTPQR
InChI InChI=1S/C14H15NOS2/c1-9(2)8-13(10(3)16)18-14-15-11-6-4-5-7-12(11)17-14/h4-7,13H,1,8H2,2-3H3
InChIKey LUJIWYYCOLKUJT-UHFFFAOYSA-N
Mol Weight 277.4 g/mol
Molecular Formula C14H15NOS2
Exact Mass 277.059506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDbXSq9dFKG
Name 3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-5-hexen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NOS2
InChI InChI=1S/C14H15NOS2/c1-9(2)8-13(10(3)16)18-14-15-11-6-4-5-7-12(11)17-14/h4-7,13H,1,8H2,2-3H3
InChIKey LUJIWYYCOLKUJT-UHFFFAOYSA-N
Molecular Weight 277.400 g/mol
SMILES c1(nc2ccccc2s1)SC(C(=O)C)CC(=C)C
SPLASH splash10-014l-4940000000-8f2c19727525756241e9
Source of Spectrum F-52-2161-2
Synonyms 3-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-hex-5-en-2-one 3-(1,3-benzothiazol-2-ylthio)-5-methyl-5-hexen-2-one 3-(1,3-benzothiazol-2-ylthio)-5-methyl-hex-5-en-2-one
Wiley ID 795144