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2-(4-Oxo-1,4-dihydrochromeno[4,3-c]pyrazole-1-carbonyl)-3-(thiophen-2-yl)acrylonitrile
SpectraBase Compound ID BemrH3cd6An
InChI InChI=1S/C18H9N3O3S/c19-9-11(8-12-4-3-7-25-12)17(22)21-16-13-5-1-2-6-15(13)24-18(23)14(16)10-20-21/h1-8,10H
InChIKey VORXKCFJHQOTOC-UHFFFAOYSA-N
Mol Weight 347.35 g/mol
Molecular Formula C18H9N3O3S
Exact Mass 347.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNhxM2Tlt9v
Name 2-(4-Oxo-1,4-dihydrochromeno[4,3-c]pyrazole-1-carbonyl)-3-(thiophen-2-yl)acrylonitrile
Appearance Yellow crystals
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Exact Mass 347.036462333 u
Formula C18H9N3O3S
InChI InChI=1S/C18H9N3O3S/c19-9-11(8-12-4-3-7-25-12)17(22)21-16-13-5-1-2-6-15(13)24-18(23)14(16)10-20-21/h1-8,10H
InChIKey VORXKCFJHQOTOC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP1000EX
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300706
Molecular Weight 347.348 g/mol
SMILES C1(=O)OC2=C(C=CC=C2)C=2N(N=CC12)C(=O)C(=CC=1SC=CC1)C#N
SPLASH splash10-00e9-0095000000-bb24ac7b363d664427f1
Source of Spectrum CBD-20-SM35-11 (DOI: 10.1002/cbdv.202300706)
Wiley ID 1911320