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3-[(N-Cinnamylamino)glyoxylyl]indole-2-acetic Acid
SpectraBase Compound ID 9Psh0WYfEy6
InChI InChI=1S/C21H18N2O4/c24-18(25)13-17-19(15-10-4-5-11-16(15)23-17)20(26)21(27)22-12-6-9-14-7-2-1-3-8-14/h1-11,23H,12-13H2,(H,22,27)(H,24,25)/b9-6+
InChIKey ZWVPDMFXZXLCSL-RMKNXTFCSA-N
Mol Weight 362.38 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bIx3l3mmZ5
Name 3-[(N-Cinnamylamino)glyoxylyl]indole-2-acetic Acid
CAS Registry Number 138955-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c24-18(25)13-17-19(15-10-4-5-11-16(15)23-17)20(26)21(27)22-12-6-9-14-7-2-1-3-8-14/h1-11,23H,12-13H2,(H,22,27)(H,24,25)/b9-6+
InChIKey ZWVPDMFXZXLCSL-RMKNXTFCSA-N
Molecular Weight 362.385 g/mol
SMILES [nH]1c2c(c(c1CC(=O)O)C(C(=O)NC\C=C\c1ccccc1)=O)cccc2
SPLASH splash10-0a4i-0900000000-143e3df1d9d06be0c278
Source of Spectrum J-57-2111-15
Wiley ID 1349684