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tert-Butyl methyl 3-benzyl-1,2,3,4,5,6-hexahydroazepino-[4,5-b]indole-5,5-dicarb

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tert-Butyl methyl 3-benzyl-1,2,3,4,5,6-hexahydroazepino-[4,5-b]indole-5,5-dicarb
SpectraBase Compound ID A6GwNgdsUfo
InChI InChI=1S/C26H30N2O4/c1-25(2,3)32-24(30)26(23(29)31-4)17-28(16-18-10-6-5-7-11-18)15-14-20-19-12-8-9-13-21(19)27-22(20)26/h5-13,27H,14-17H2,1-4H3
InChIKey VPBDERPUDZJPGK-UHFFFAOYSA-N
Mol Weight 434.54 g/mol
Molecular Formula C26H30N2O4
Exact Mass 434.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZT60CjfqW4
Name tert-Butyl methyl 3-benzyl-1,2,3,4,5,6-hexahydroazepino-[4,5-b]indole-5,5-dicarb
Alternate Name(s) 5-tert-Butyl 5-methyl 3-benzyl-1,3,4,6-tetrahydroazepino[4,5-b]indole-5,5(2H)-dicarboxylate
CAS Registry Number 66859-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O4
InChI InChI=1S/C26H30N2O4/c1-25(2,3)32-24(30)26(23(29)31-4)17-28(16-18-10-6-5-7-11-18)15-14-20-19-12-8-9-13-21(19)27-22(20)26/h5-13,27H,14-17H2,1-4H3
InChIKey VPBDERPUDZJPGK-UHFFFAOYSA-N
Molecular Weight 434.536 g/mol
SMILES [nH]1c2ccccc2c2CCN(CC(c12)(C(OC(C)(C)C)=O)C(=O)OC)Cc1ccccc1
SPLASH splash10-052f-9110000000-b7d284df8a4e37db6ed5
Source of Spectrum J-43-3708-0
Wiley ID 1383047