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(S)-1-[(Isopropoxycarbonyl)methyl]-2-[N'-[(S)-2-(3,3-dimethyl-1-methoxybutyl)]formamidino]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 32csGRidPot
InChI InChI=1S/C23H36N2O4/c1-16(2)29-22(26)13-20-19-9-8-18(28-7)12-17(19)10-11-25(20)15-24-21(14-27-6)23(3,4)5/h8-9,12,15-16,20-21H,10-11,13-14H2,1-7H3/b24-15+/t20-,21?/m0/s1
InChIKey NXVVYEWJCZNNBK-MKTMLSACSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhNVl7fONs9
Name (S)-1-[(Isopropoxycarbonyl)methyl]-2-[N'-[(S)-2-(3,3-dimethyl-1-methoxybutyl)]formamidino]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O4
InChI InChI=1S/C23H36N2O4/c1-16(2)29-22(26)13-20-19-9-8-18(28-7)12-17(19)10-11-25(20)15-24-21(14-27-6)23(3,4)5/h8-9,12,15-16,20-21H,10-11,13-14H2,1-7H3/b24-15+/t20-,21?/m0/s1
InChIKey NXVVYEWJCZNNBK-MKTMLSACSA-N
Molecular Weight 404.551 g/mol
SMILES [C@@]1(N(\C=N\C(C(C)(C)C)COC)CCc2c1ccc(OC)c2)(CC(=O)OC(C)C)[H]
SPLASH splash10-08fr-0639300000-7cb3843f4aa98d084699
Source of Spectrum J-57-4737-13
Synonyms (S)-1-[(Isopropoxycarbonyl)methyl]-2-[N'-[(S)-2-(1-methoxymethyl-2,2-dimethyl-propylimino]-6-methoxy-1,2,3,4-tetrahydroisoquinoline isopropyl[(1S)-6-methoxy-2-((E)-{[(E,1S)-1-methoxy-3,3-dimethylbutyl]imino}methyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]acetate
Wiley ID 1371375