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2-Benzyl-1-[2-(methoxycarbonyl)ethyl]-5-nitro-1,2-dihydro-3H-indazol-3-one
SpectraBase Compound ID LThpUydQVeA
InChI InChI=1S/C18H17N3O5/c1-26-17(22)9-10-19-16-8-7-14(21(24)25)11-15(16)18(23)20(19)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKey IOFDTQYPDXIGRN-UHFFFAOYSA-N
Mol Weight 355.35 g/mol
Molecular Formula C18H17N3O5
Exact Mass 355.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T6NN3V470m
Name 2-Benzyl-1-[2-(methoxycarbonyl)ethyl]-5-nitro-1,2-dihydro-3H-indazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 355.116820654 u
Formula C18H17N3O5
InChI InChI=1S/C18H17N3O5/c1-26-17(22)9-10-19-16-8-7-14(21(24)25)11-15(16)18(23)20(19)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKey IOFDTQYPDXIGRN-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 355.350 g/mol
Quality 94
SMILES C1(=CC=CC=C1)CN1N(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])CCC(=O)OC
SPLASH splash10-0a4i-0109000000-97bae98109e6ce21d4ac
Source of Spectrum ES2614131A1
Wiley ID 1894589