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2-[Benzyl-(7-benzyloxy-hept-5-ynyl)-carbamoyl]-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester
SpectraBase Compound ID EW7kJaVXtWE
InChI InChI=1S/C38H44N2O7/c1-38(2,3)47-37(42)40-31(24-30-25-32(43-4)34(44-5)35(45-6)33(30)40)36(41)39(26-28-18-12-10-13-19-28)22-16-8-7-9-17-23-46-27-29-20-14-11-15-21-29/h10-15,18-21,24-25H,7-8,16,22-23,26-27H2,1-6H3
InChIKey DBIVTUAJJDKWNA-UHFFFAOYSA-N
Mol Weight 640.8 g/mol
Molecular Formula C38H44N2O7
Exact Mass 640.314852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je9j34CvKdB
Name 2-[Benzyl-(7-benzyloxy-hept-5-ynyl)-carbamoyl]-5,6,7-trimethoxy-indole-1-carboxylic acidtert-butyl ester
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Formula C38H44N2O7
InChI InChI=1S/C38H44N2O7/c1-38(2,3)47-37(42)40-31(24-30-25-32(43-4)34(44-5)35(45-6)33(30)40)36(41)39(26-28-18-12-10-13-19-28)22-16-8-7-9-17-23-46-27-29-20-14-11-15-21-29/h10-15,18-21,24-25H,7-8,16,22-23,26-27H2,1-6H3
InChIKey DBIVTUAJJDKWNA-UHFFFAOYSA-N
Molecular Weight 640.777 g/mol
SMILES c12[n](c(cc1cc(c(c2OC)OC)OC)C(N(CCCCC#CCOCc1ccccc1)Cc1ccccc1)=O)C(=O)OC(C)(C)C
SPLASH splash10-0006-3033091000-ad6eb1f71b14ddbd2a09
Source of Spectrum CBC-3-223-14
Synonyms tert-Butyl 2-(benzyl(7-(benzyloxy)hept-5-yn-1-yl)carbamoyl)-5,6,7-trimethoxy-1H-indole-1-carboxylate
Wiley ID 1786505