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3H-Indole-3,3-dipropanoic acid, 2-(1,1-dimethyl-2-propenyl)-.alpha.,.alpha.'-bis(hydroxyimino)-, diethyl ester
SpectraBase Compound ID G2CXSLQopuX
InChI InChI=1S/C23H29N3O6/c1-6-22(4,5)21-23(13-17(25-29)19(27)31-7-2,14-18(26-30)20(28)32-8-3)15-11-9-10-12-16(15)24-21/h6,9-12,29-30H,1,7-8,13-14H2,2-5H3/b25-17-,26-18-
InChIKey BCPRSPJOSWOVTI-MFYXSQMNSA-N
Mol Weight 443.5 g/mol
Molecular Formula C23H29N3O6
Exact Mass 443.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fh3pAru1Ji
Name 3H-Indole-3,3-dipropanoic acid, 2-(1,1-dimethyl-2-propenyl)-.alpha.,.alpha.'-bis(hydroxyimino)-, diethyl ester
CAS Registry Number 114519-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29N3O6
InChI InChI=1S/C23H29N3O6/c1-6-22(4,5)21-23(13-17(25-29)19(27)31-7-2,14-18(26-30)20(28)32-8-3)15-11-9-10-12-16(15)24-21/h6,9-12,29-30H,1,7-8,13-14H2,2-5H3/b25-17-,26-18-
InChIKey BCPRSPJOSWOVTI-MFYXSQMNSA-N
Molecular Weight 443.500 g/mol
SMILES O\N=C\(CC1(C\C(=N\O)C(=O)OCC)C(=Nc2c1cccc2)C(C=C)(C)C)C(=O)OCC
SPLASH splash10-03di-0009000000-64f7ae1c67f59daf4205
Source of Spectrum KC-1987-2476-22
Synonyms 2-(1',1'-Dimethyl-2'-propenyl)-3,3-di(2'-ethoxycarbonyl-2'-hydroxyimino-ethyl)-3H-indole Ethyl (2Z)-3-{2-(1,1-dimethyl-2-propenyl)-3-[(2Z)-3-ethoxy-2-(hydroxyimino)-3-oxopropyl]-3H-indol-3-yl}-2-(hydroxyimino)propanoate
Wiley ID 1385721