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2-Benzyl-1-(3-ethoxypropyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID 7kaknhRS7z6
InChI InChI=1S/C19H21N3O4/c1-2-26-12-6-11-20-18-10-9-16(22(24)25)13-17(18)19(23)21(20)14-15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3
InChIKey CCCRTWPOHFRDPN-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C19H21N3O4
Exact Mass 355.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MRkpVcvffO
Name 2-Benzyl-1-(3-ethoxypropyl)-5-nitro-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.153206164 u
Formula C19H21N3O4
InChI InChI=1S/C19H21N3O4/c1-2-26-12-6-11-20-18-10-9-16(22(24)25)13-17(18)19(23)21(20)14-15-7-4-3-5-8-15/h3-5,7-10,13H,2,6,11-12,14H2,1H3
InChIKey CCCRTWPOHFRDPN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 355.394 g/mol
Quality 123
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCCOCC
SPLASH splash10-0a4i-0219000000-f89728e2bfae6a4607be
Source of Spectrum ES2614131A1
Wiley ID 1894584