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2-{Benzyl-[2-(4-benzyloxy-but-2-ynyloxy)-ethyl]-carbamoyl}-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester
SpectraBase Compound ID 48kmZKZWoGQ
InChI InChI=1S/C37H42N2O8/c1-37(2,3)47-36(41)39-30(23-29-24-31(42-4)33(43-5)34(44-6)32(29)39)35(40)38(25-27-15-9-7-10-16-27)19-22-45-20-13-14-21-46-26-28-17-11-8-12-18-28/h7-12,15-18,23-24H,19-22,25-26H2,1-6H3
InChIKey ZHACMLYGVUNUNU-UHFFFAOYSA-N
Mol Weight 642.7 g/mol
Molecular Formula C37H42N2O8
Exact Mass 642.294116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KBGmZhpPmL
Name 2-{Benzyl-[2-(4-benzyloxy-but-2-ynyloxy)-ethyl]-carbamoyl}-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester
Alternate Name(s) tert-Butyl 2-(benzyl(2-((4-(benzyloxy)but-2-yn-1-yl)oxy)ethyl)carbamoyl)-5,6,7-trimethoxy-1H-indole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H42N2O8
InChI InChI=1S/C37H42N2O8/c1-37(2,3)47-36(41)39-30(23-29-24-31(42-4)33(43-5)34(44-6)32(29)39)35(40)38(25-27-15-9-7-10-16-27)19-22-45-20-13-14-21-46-26-28-17-11-8-12-18-28/h7-12,15-18,23-24H,19-22,25-26H2,1-6H3
InChIKey ZHACMLYGVUNUNU-UHFFFAOYSA-N
Molecular Weight 642.749 g/mol
SMILES c12[n](c(cc1cc(c(c2OC)OC)OC)C(N(CCOCC#CCOCc1ccccc1)Cc1ccccc1)=O)C(=O)OC(C)(C)C
SPLASH splash10-0006-2039000000-73b5379ec737449a8d75
Source of Spectrum CBC-3-223-15
Wiley ID 1786506