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1H-Indole-2-acetic acid, .alpha.-methylene-3-[2-[(3-oxo-1-butenyl)(phenylmethyl)amino]ethyl]-, methyl ester, (E)-
SpectraBase Compound ID 4G5Q66edcGa
InChI InChI=1S/C25H26N2O3/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/h4-13,15,26H,2,14,16-17H2,1,3H3/b15-13+
InChIKey UKMJGADNQDIHPB-FYWRMAATSA-N
Mol Weight 402.49 g/mol
Molecular Formula C25H26N2O3
Exact Mass 402.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G54TqCQg0SL
Name 1H-Indole-2-acetic acid, .alpha.-methylene-3-[2-[(3-oxo-1-butenyl)(phenylmethyl)amino]ethyl]-, methyl ester, (E)-
CAS Registry Number 89118-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O3
InChI InChI=1S/C25H26N2O3/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/h4-13,15,26H,2,14,16-17H2,1,3H3/b15-13+
InChIKey UKMJGADNQDIHPB-FYWRMAATSA-N
Molecular Weight 402.494 g/mol
SMILES [nH]1c2ccccc2c(c1C(C(=O)OC)=C)CCN(\C=C\C(=O)C)Cc1ccccc1
SPLASH splash10-0uei-1963400000-e1a8c64d069567915579
Source of Spectrum F-39-3713-0
Synonyms Methyl 2-[3-(2-{benzyl[(1E)-3-oxo-1-butenyl]amino}ethyl)-1H-indol-2-yl]acrylate N-Benzyl-N-(1-buten-3-one-1-yl)-N-2-{3-[2-(methylene-2-propionyl)indol]ethyl}amine
Wiley ID 1370545