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1-O-tert-butyl 2-O-methyl 4-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxyindole-1,2-dicarboxylate
SpectraBase Compound ID 4Y9855y8tcj
InChI InChI=1S/C27H31BrN2O7/c1-26(2,3)36-24(32)29-18-14-20(35-15-16-11-9-8-10-12-16)22-17(21(18)28)13-19(23(31)34-7)30(22)25(33)37-27(4,5)6/h8-14H,15H2,1-7H3,(H,29,32)
InChIKey VSRKTSFMUSTLBP-UHFFFAOYSA-N
Mol Weight 575.46 g/mol
Molecular Formula C27H31BrN2O7
Exact Mass 574.131464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8kNxxXenN9u
Name 1-O-tert-butyl 2-O-methyl 4-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxyindole-1,2-dicarboxylate
Alternate Name(s) 4-Bromo-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-phenylmethoxyindole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester 7-Benzoxy-4-bromo-5-(tert-butoxycarbonylamino)indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester O1-tert-butyl O2-methyl 4-bromanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenylmethoxy-indole-1,2-dicarboxylate O1-tert-butyl O2-methyl 7-benzyloxy-4-bromo-5-(tert-butoxycarbonylamino)indole-1,2-dicarboxylate
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Formula C27H31BrN2O7
InChI InChI=1S/C27H31BrN2O7/c1-26(2,3)36-24(32)29-18-14-20(35-15-16-11-9-8-10-12-16)22-17(21(18)28)13-19(23(31)34-7)30(22)25(33)37-27(4,5)6/h8-14H,15H2,1-7H3,(H,29,32)
InChIKey VSRKTSFMUSTLBP-UHFFFAOYSA-N
Molecular Weight 575.456 g/mol
SMILES N(c1c(c2cc([n](c2c(c1)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC)Br)C(=O)OC(C)(C)C
SPLASH splash10-0006-9000220000-f74f575e920a588a04fd
Source of Spectrum K1-2003-565-9
Wiley ID 1520636