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1-Pyrrolidinyloxy, 2,5-bis[4-(1H-imidazol-1-yl)-3-nitrophenyl]-2,5-dimethyl-, trans-
SpectraBase Compound ID KvpC9YqRgsh
InChI InChI=1S/C24H22N7O5/c1-23(17-3-5-19(21(13-17)29(32)33)27-11-9-25-15-27)7-8-24(2,31(23)36)18-4-6-20(22(14-18)30(34)35)28-12-10-26-16-28/h3-6,9-16H,7-8H2,1-2H3/t23-,24-/m1/s1
InChIKey ZHRUPNSFOWLYJX-DNQXCXABSA-N
Mol Weight 489.49 g/mol
Molecular Formula C24H23N7O5
Exact Mass 489.176067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1w1DWtLshD
Name 1-Pyrrolidinyloxy, 2,5-bis[4-(1H-imidazol-1-yl)-3-nitrophenyl]-2,5-dimethyl-, trans-
CAS Registry Number 124190-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N7O5
InChI InChI=1S/C24H22N7O5/c1-23(17-3-5-19(21(13-17)29(32)33)27-11-9-25-15-27)7-8-24(2,31(23)36)18-4-6-20(22(14-18)30(34)35)28-12-10-26-16-28/h3-6,9-16H,7-8H2,1-2H3/t23-,24-/m1/s1
InChIKey ZHRUPNSFOWLYJX-DNQXCXABSA-N
Molecular Weight 489.492 g/mol
SMILES ON1[C@@](c2cc(N(=O)=O)c(-[n]3cncc3)cc2)(CC[C@@]1(c1cc(N(=O)=O)c(cc1)-[n]1cncc1)C)C
SPLASH splash10-0pb9-0020900000-1ffdae07c0f2eff81697
Source of Spectrum I-67-1397-29
Synonyms 2,5-Dimethyl-trans-2,5-di[3-nitro-4-(imidazol-1-yl)phenyl]pyrrolidin-1-oxyl
Wiley ID 1396821