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3-{2-[(Acetylbenzylamino)methyl]allyl}-3-methyl-2,3-dihydroindole-1,5-carboxylic acid dimethyl ester
SpectraBase Compound ID IyzLkyRojGI
InChI InChI=1S/C26H30N2O5/c1-17(14-27-15-19-6-8-20(9-7-19)18(2)29)13-26(3)16-28(25(31)33-5)23-11-10-21(12-22(23)26)24(30)32-4/h6-12,27H,1,13-16H2,2-5H3
InChIKey MRQSYCQLQOKUGD-UHFFFAOYSA-N
Mol Weight 450.54 g/mol
Molecular Formula C26H30N2O5
Exact Mass 450.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9nczAU7gxu
Name 3-{2-[(Acetylbenzylamino)methyl]allyl}-3-methyl-2,3-dihydroindole-1,5-carboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 3-(2-{[(4-acetylbenzyl)amino]methyl}-2-propenyl)-3-methyl-1,5-indolinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O5
InChI InChI=1S/C26H30N2O5/c1-17(14-27-15-19-6-8-20(9-7-19)18(2)29)13-26(3)16-28(25(31)33-5)23-11-10-21(12-22(23)26)24(30)32-4/h6-12,27H,1,13-16H2,2-5H3
InChIKey MRQSYCQLQOKUGD-UHFFFAOYSA-N
Molecular Weight 450.535 g/mol
SMILES N(CC(CC1(CN(c2c1cc(cc2)C(=O)OC)C(=O)OC)C)=C)Cc1ccc(C(=O)C)cc1
SPLASH splash10-0f6y-4090100000-ac69d1112f8d1bebe531
Source of Spectrum F-57-10342-9
Wiley ID 1626777