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1,2,3,4-Tetrahydro-2-(benzyloxycarbonyl)-1-(2'-methylpropyl)-7-(2'-nitrobenzyloxy)-9H-pyrido[3,4-b]indole
SpectraBase Compound ID Cqg85XgQV3d
InChI InChI=1S/C30H31N3O5/c1-20(2)16-28-29-25(14-15-32(28)30(34)38-18-21-8-4-3-5-9-21)24-13-12-23(17-26(24)31-29)37-19-22-10-6-7-11-27(22)33(35)36/h3-13,17,20,28,31H,14-16,18-19H2,1-2H3
InChIKey SFCDLJMIVATXQG-UHFFFAOYSA-N
Mol Weight 513.59 g/mol
Molecular Formula C30H31N3O5
Exact Mass 513.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkdQvRwqdUY
Name 1,2,3,4-Tetrahydro-2-(benzyloxycarbonyl)-1-(2'-methylpropyl)-7-(2'-nitrobenzyloxy)-9H-pyrido[3,4-b]indole
Alternate Name(s) benzyl 1-isobutyl-7-[(2-nitrobenzyl)oxy]-1,3,4,9-tetrahydro-2H-.beta.-carboline-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H31N3O5
InChI InChI=1S/C30H31N3O5/c1-20(2)16-28-29-25(14-15-32(28)30(34)38-18-21-8-4-3-5-9-21)24-13-12-23(17-26(24)31-29)37-19-22-10-6-7-11-27(22)33(35)36/h3-13,17,20,28,31H,14-16,18-19H2,1-2H3
InChIKey SFCDLJMIVATXQG-UHFFFAOYSA-N
Molecular Weight 513.594 g/mol
SMILES [nH]1c2cc(ccc2c2c1C(N(CC2)C(OCc1ccccc1)=O)CC(C)C)OCc1c(N(=O)=O)cccc1
SPLASH splash10-0006-9100200000-2022897c802380a081a6
Source of Spectrum H-79-166-30
Wiley ID 1400981