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1-benzyloxymethyl-4-cyanomethyl-2-methyl-5-nitroindole
SpectraBase Compound ID L50pGBYzlPQ
InChI InChI=1S/C19H17N3O3/c1-14-11-17-16(9-10-20)19(22(23)24)8-7-18(17)21(14)13-25-12-15-5-3-2-4-6-15/h2-8,11H,9,12-13H2,1H3
InChIKey IEFYQRTVYZGQOU-UHFFFAOYSA-N
Mol Weight 335.36 g/mol
Molecular Formula C19H17N3O3
Exact Mass 335.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rdh7JGeKN6
Name 1-benzyloxymethyl-4-cyanomethyl-2-methyl-5-nitroindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17N3O3
InChI InChI=1S/C19H17N3O3/c1-14-11-17-16(9-10-20)19(22(23)24)8-7-18(17)21(14)13-25-12-15-5-3-2-4-6-15/h2-8,11H,9,12-13H2,1H3
InChIKey IEFYQRTVYZGQOU-UHFFFAOYSA-N
Instrument Name AMD-604/AutoSpec Premier
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.107
Molecular Weight 335.363 g/mol
SMILES c12c(c(ccc2[n](c(c1)C)COCc1ccccc1)[N+]([O-])=O)CC#N
SPLASH splash10-0006-9111000000-11d7fcc15dc19ebfcc90
Source of Spectrum BJO-9-SM4-4
Wiley ID 1865045