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3-[[N-(2'-nitrocinnamyl)amino]glyoxylyl]indole-2-acetic Acid
SpectraBase Compound ID 7DkUEC4iSJt
InChI InChI=1S/C21H17N3O6/c25-18(26)12-16-19(14-8-2-3-9-15(14)23-16)20(27)21(28)22-11-5-7-13-6-1-4-10-17(13)24(29)30/h1-10,23H,11-12H2,(H,22,28)(H,25,26)/b7-5+
InChIKey NGJRRLFXEMUCHQ-FNORWQNLSA-N
Mol Weight 407.38 g/mol
Molecular Formula C21H17N3O6
Exact Mass 407.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2a4LR3XLDjW
Name 3-[[N-(2'-nitrocinnamyl)amino]glyoxylyl]indole-2-acetic Acid
CAS Registry Number 138956-10-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O6
InChI InChI=1S/C21H17N3O6/c25-18(26)12-16-19(14-8-2-3-9-15(14)23-16)20(27)21(28)22-11-5-7-13-6-1-4-10-17(13)24(29)30/h1-10,23H,11-12H2,(H,22,28)(H,25,26)/b7-5+
InChIKey NGJRRLFXEMUCHQ-FNORWQNLSA-N
Molecular Weight 407.382 g/mol
SMILES [nH]1c2c(c(c1CC(=O)O)C(C(=O)NC\C=C\c1c([N+]([O-])=O)cccc1)=O)cccc2
SPLASH splash10-0a4i-0900000000-ed4461e33ca4afae7718
Source of Spectrum J-57-2113-33
Wiley ID 1372544