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3H-pyrazol-3-one, 5-(1-azetidinyl)-2,4-dihydro-2-(4-nitrophenyl)-
SpectraBase Compound ID JNYKdGfPpYt
InChI InChI=1S/C12H12N4O3/c17-12-8-11(14-6-1-7-14)13-15(12)9-2-4-10(5-3-9)16(18)19/h2-5H,1,6-8H2
InChIKey YAFBAOAYFIUBHD-UHFFFAOYSA-N
Mol Weight 260.25 g/mol
Molecular Formula C12H12N4O3
Exact Mass 260.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HA14ds5H7MP
Name 3H-pyrazol-3-one, 5-(1-azetidinyl)-2,4-dihydro-2-(4-nitrophenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N4O3
InChI InChI=1S/C12H12N4O3/c17-12-8-11(14-6-1-7-14)13-15(12)9-2-4-10(5-3-9)16(18)19/h2-5H,1,6-8H2
InChIKey YAFBAOAYFIUBHD-UHFFFAOYSA-N
Molecular Weight 260.253 g/mol
SMILES C1(=O)CC(=NN1c1ccc(cc1)[N+]([O-])=O)N1CCC1
SPLASH splash10-03e9-9180000000-1d1e83264ff4de6c5e8b
Source of Spectrum JX-2015-2-69
Synonyms 3-(azetidin-1-yl)-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one 5-(azetidin-1-yl)-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one 5-(1-azetidinyl)-2-(4-nitrophenyl)-4H-pyrazol-3-one 5-(azetidin-1-yl)-2-(4-nitrophenyl)-4H-pyrazol-3-one
Wiley ID 1721828