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2-Benzyl-1-[3-(dimethylcarbamoyl)propyl]-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID IZ13lgUkvBV
InChI InChI=1S/C20H22N4O4/c1-21(2)19(25)9-6-12-22-18-11-10-16(24(27)28)13-17(18)20(26)23(22)14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3
InChIKey LZKDAFYSBJOUOG-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C20H22N4O4
Exact Mass 382.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmL5yR8Bqry
Name 2-Benzyl-1-[3-(dimethylcarbamoyl)propyl]-5-nitro-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.164105200 u
Formula C20H22N4O4
InChI InChI=1S/C20H22N4O4/c1-21(2)19(25)9-6-12-22-18-11-10-16(24(27)28)13-17(18)20(26)23(22)14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3
InChIKey LZKDAFYSBJOUOG-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 382.420 g/mol
Quality 144
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCCC(=O)N(C)C
SPLASH splash10-03yj-0973000000-365ba2230ccef368a17a
Source of Spectrum ES2614131A1
Wiley ID 1894582