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1H-Indole-3-propanoic acid, 2-(1,1-dimethyl-2-propenyl)-.alpha.-[(phenylmethoxy)imino]-, ethyl ester, (E)-
SpectraBase Compound ID Husq4VGl2CL
InChI InChI=1S/C25H28N2O3/c1-5-25(3,4)23-20(19-14-10-11-15-21(19)26-23)16-22(24(28)29-6-2)27-30-17-18-12-8-7-9-13-18/h5,7-15,26H,1,6,16-17H2,2-4H3/b27-22+
InChIKey HFHRSYBZPLMXAI-HPNDGRJYSA-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 KJmLLej1482
Name 1H-Indole-3-propanoic acid, 2-(1,1-dimethyl-2-propenyl)-.alpha.-[(phenylmethoxy)imino]-, ethyl ester, (E)-
CAS Registry Number 114519-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O3
InChI InChI=1S/C25H28N2O3/c1-5-25(3,4)23-20(19-14-10-11-15-21(19)26-23)16-22(24(28)29-6-2)27-30-17-18-12-8-7-9-13-18/h5,7-15,26H,1,6,16-17H2,2-4H3/b27-22+
InChIKey HFHRSYBZPLMXAI-HPNDGRJYSA-N
Molecular Weight 404.510 g/mol
SMILES [nH]1c2c(c(c1C(C=C)(C)C)C\C(C(=O)OCC)=N/OCc1ccccc1)cccc2
SPLASH splash10-006y-9740000000-a8169aa13be8b0bb1f5f
Source of Spectrum KC-1987-2476-12
Synonyms Ethyl (2E)-2-[(benzyloxy)imino]-3-[2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]propanoate Ethyl (E)-.alpha.-(benzyloxyimino)-.beta.-[2-(.alpha.,.alpha.-dimethylallyl)indol-3-yl]propanoate
Wiley ID 1371485