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2-(4-Nitrophenyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
SpectraBase Compound ID 5lxNcbjALL9
InChI InChI=1S/C12H11N3O3S/c16-12-10-7-19-6-5-11(10)13-14(12)8-1-3-9(4-2-8)15(17)18/h1-4,13H,5-7H2
InChIKey GYAIWXPHSKJCSN-UHFFFAOYSA-N
Mol Weight 277.3 g/mol
Molecular Formula C12H11N3O3S
Exact Mass 277.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGIOJ31bXzT
Name 2-(4-Nitrophenyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O3S
InChI InChI=1S/C12H11N3O3S/c16-12-10-7-19-6-5-11(10)13-14(12)8-1-3-9(4-2-8)15(17)18/h1-4,13H,5-7H2
InChIKey GYAIWXPHSKJCSN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800276
Molecular Weight 277.298 g/mol
SMILES N1C2=C(C(N1c1ccc(cc1)[N+](=O)[O-])=O)CSCC2
SPLASH splash10-004i-6390000000-4b4e0a1053abce321588
Source of Spectrum QA-66-SM12-18c
Wiley ID 1819631