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N-Pyrrolidino Isotonitazene
SpectraBase Compound ID HcTRavzuNiV
InChI InChI=1S/C23H28N4O3/c1-17(2)30-20-8-5-18(6-9-20)15-23-24-21-16-19(27(28)29)7-10-22(21)26(23)14-13-25-11-3-4-12-25/h5-10,16-17H,3-4,11-15H2,1-2H3
InChIKey VRKDSDBBRNHHCR-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C23H28N4O3
Exact Mass 408.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjYQkahAA1
Name N-Pyrrolidino Isotonitazene
Catalog Number 34909
Lot Number 624243
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.216140775 u
Formula C23H28N4O3
InChI InChI=1S/C23H28N4O3/c1-17(2)30-20-8-5-18(6-9-20)15-23-24-21-16-19(27(28)29)7-10-22(21)26(23)14-13-25-11-3-4-12-25/h5-10,16-17H,3-4,11-15H2,1-2H3
InChIKey VRKDSDBBRNHHCR-UHFFFAOYSA-N
Molecular Weight 408.502 g/mol
Purity >=98%
Quality 985
SMILES CC(C)OC1=CC=C(C=C1)CC1=NC2=CC([N+]([O-])=O)=CC=C2N1CCN1CCCC1
SPLASH splash10-001i-9100000000-684cc11d9d39787e8fb1
Source of Spectrum CAY-2024-2188-0
Synonyms 2-(4-isopropoxybenzyl)-5-nitro-1-(2-(pyrrolidin-1-yl)ethyl)-1H-benzo[d]imidazole 5-nitro-2-{[4-(propan-2-yloxy)phenyl]methyl}-1-[2-(pyrrolidin-1-yl)ethyl]-1H-1,3-benzodiazole
Wiley ID 1890381