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1H-Indole-2-acetic acid, .alpha.-methyl-3-[2-[(3-oxo-1-butenyl)(phenylmethyl)amino]ethyl]-, methyl ester, (E)-
SpectraBase Compound ID KMSeJVEYYDA
InChI InChI=1S/C25H28N2O3/c1-18(28)13-15-27(17-20-9-5-4-6-10-20)16-14-22-21-11-7-8-12-23(21)26-24(22)19(2)25(29)30-3/h4-13,15,19,26H,14,16-17H2,1-3H3/b15-13+
InChIKey NINUOEQJIWCPJE-FYWRMAATSA-N
Mol Weight 404.51 g/mol
Molecular Formula C25H28N2O3
Exact Mass 404.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sLAgaFlg3c
Name 1H-Indole-2-acetic acid, .alpha.-methyl-3-[2-[(3-oxo-1-butenyl)(phenylmethyl)amino]ethyl]-, methyl ester, (E)-
CAS Registry Number 89118-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O3
InChI InChI=1S/C25H28N2O3/c1-18(28)13-15-27(17-20-9-5-4-6-10-20)16-14-22-21-11-7-8-12-23(21)26-24(22)19(2)25(29)30-3/h4-13,15,19,26H,14,16-17H2,1-3H3/b15-13+
InChIKey NINUOEQJIWCPJE-FYWRMAATSA-N
Molecular Weight 404.510 g/mol
SMILES [nH]1c2ccccc2c(c1C(C(=O)OC)C)CCN(\C=C\C(=O)C)Cc1ccccc1
SPLASH splash10-0gzl-4893400000-252b8a715c6357a0fca9
Source of Spectrum F-39-3713-0
Synonyms Methyl 2-[3-(2-{benzyl[(1E)-3-oxo-1-butenyl]amino}ethyl)-1H-indol-2-yl]propanoate N-Benzyl-N-(1-butene-3-oneyl)-N-2-(3-(2-(methyl-2-propionyl)-indol)ethyl)amine
Wiley ID 1371477