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2-{3'-(.beta.-Acetamidoethyl)-2'-indolyl}-2-(3"-indolyl)nitroethane
SpectraBase Compound ID 3bB7zXBPecV
InChI InChI=1S/C22H22N4O3/c1-14(27)23-11-10-17-15-6-3-5-9-21(15)25-22(17)19(13-26(28)29)18-12-24-20-8-4-2-7-16(18)20/h2-9,12,19,24-25H,10-11,13H2,1H3,(H,23,27)
InChIKey PBVKQMLEOVELLT-UHFFFAOYSA-N
Mol Weight 390.44 g/mol
Molecular Formula C22H22N4O3
Exact Mass 390.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqkSG84ptT4
Name 2-{3'-(.beta.-Acetamidoethyl)-2'-indolyl}-2-(3"-indolyl)nitroethane
Alternate Name(s) N-(2-{2-[1-(1H-indol-3-yl)-2-nitroethyl]-1H-indol-3-yl}ethyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4O3
InChI InChI=1S/C22H22N4O3/c1-14(27)23-11-10-17-15-6-3-5-9-21(15)25-22(17)19(13-26(28)29)18-12-24-20-8-4-2-7-16(18)20/h2-9,12,19,24-25H,10-11,13H2,1H3,(H,23,27)
InChIKey PBVKQMLEOVELLT-UHFFFAOYSA-N
Molecular Weight 390.443 g/mol
SMILES [nH]1c2c(c(C(c3c(CCNC(=O)C)c4ccccc4[nH]3)CN(=O)=O)c1)cccc2
SPLASH splash10-0abc-0294000000-d44b868768c592979539
Source of Spectrum KC-60-1946-11
Wiley ID 1583542