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5-(2-benzyl-5-nitro-3-oxo-1,2-dihydro-3H-indazol-1-yl)-3-oxapentyl bromide
SpectraBase Compound ID Clm4BmHwxxO
InChI InChI=1S/C18H18BrN3O4/c19-8-10-26-11-9-20-17-7-6-15(22(24)25)12-16(17)18(23)21(20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKey FIFVEOXSKQCJCG-UHFFFAOYSA-N
Mol Weight 420.26 g/mol
Molecular Formula C18H18BrN3O4
Exact Mass 419.048069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrTTOPXM3ix
Name 5-(2-benzyl-5-nitro-3-oxo-1,2-dihydro-3H-indazol-1-yl)-3-oxapentyl bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18BrN3O4
InChI InChI=1S/C18H18BrN3O4/c19-8-10-26-11-9-20-17-7-6-15(22(24)25)12-16(17)18(23)21(20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2
InChIKey FIFVEOXSKQCJCG-UHFFFAOYSA-N
Molecular Weight 420.263 g/mol
SMILES C1(N(N(c2ccc(cc12)N(=O)=O)CCOCCBr)Cc1ccccc1)=O
SPLASH splash10-0006-9100400000-e15fbe4f7082125b2db8
Source of Spectrum EMC-74-130-18
Synonyms 2-Benzyl-1-(2-(2-bromoethoxy)ethyl)-5-nitro-1H-indazol-3(2H)-one
Wiley ID 1739952