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4-(8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID Lbmrm3Wdmyn
InChI InChI=1S/C21H18N4O3/c26-21-18(19(23-24-21)12-5-2-1-3-6-12)20-15-8-4-7-14(15)16-11-13(25(27)28)9-10-17(16)22-20/h1-7,9-11,14-15,18,20,22H,8H2,(H,24,26)
InChIKey YCYVWLLZBKGRIY-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C21H18N4O3
Exact Mass 374.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1cztsSGNTB
Name 4-(8-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-5-phenyl-2,4-dihydro-3H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O3
InChI InChI=1S/C21H18N4O3/c26-21-18(19(23-24-21)12-5-2-1-3-6-12)20-15-8-4-7-14(15)16-11-13(25(27)28)9-10-17(16)22-20/h1-7,9-11,14-15,18,20,22H,8H2,(H,24,26)
InChIKey YCYVWLLZBKGRIY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200700121
Molecular Weight 374.400 g/mol
SMILES N1C(C(C2Nc3ccc(cc3C3C2CC=C3)[N+](=O)[O-])C(=N1)c1ccccc1)=O
SPLASH splash10-066r-7900000000-06d8c3a6860ec553ebbc
Source of Spectrum APC-340-596-5b
Synonyms 4-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-3-phenyl-1H-pyrazol-5(4H)-one 4-(8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)-3-phenyl-1,4-dihydropyrazol-5-one
Wiley ID 1768779