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2-(1,3-Benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID DJSD2WaMZdY
InChI InChI=1S/C11H9N3OS/c1-7-6-10(15)14(13-7)11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3
InChIKey YUHMNVVMEMQSHG-UHFFFAOYSA-N
Mol Weight 231.27 g/mol
Molecular Formula C11H9N3OS
Exact Mass 231.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4u83RmHvzL
Name 2-(1,3-Benzothiazol-2-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 17304-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3OS
InChI InChI=1S/C11H9N3OS/c1-7-6-10(15)14(13-7)11-12-8-4-2-3-5-9(8)16-11/h2-5H,6H2,1H3
InChIKey YUHMNVVMEMQSHG-UHFFFAOYSA-N
Molecular Weight 231.273 g/mol
SMILES c1cc2sc(N3C(CC(=N3)C)=O)nc2cc1
SPLASH splash10-000i-9510000000-128426f1cc16240bbe86
Source of Spectrum AD-0-2532-0
Synonyms 2-(1,3-benzothiazol-2-yl)-5-methyl-2-pyrazolin-3-one 2-(1,3-benzothiazol-2-yl)-5-methyl-4H-pyrazol-3-one Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
Wiley ID 1420549