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7-(3-acetoxypropoxy)-5-(tert-butoxycarbonylamino)-4-methyl-1H-indole-2-carboxylic acid methyl ester
SpectraBase Compound ID BBYSwMdhrBS
InChI InChI=1S/C21H28N2O7/c1-12-14-10-16(19(25)27-6)22-18(14)17(29-9-7-8-28-13(2)24)11-15(12)23-20(26)30-21(3,4)5/h10-11,22H,7-9H2,1-6H3,(H,23,26)
InChIKey YOOOSUOFSDVHGI-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C21H28N2O7
Exact Mass 420.189651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCRS9kWreuU
Name 7-(3-acetoxypropoxy)-5-(tert-butoxycarbonylamino)-4-methyl-1H-indole-2-carboxylic acid methyl ester
Alternate Name(s) 7-(3-acetyloxypropoxy)-4-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester Methyl 7-(3-acetoxypropoxy)-5-(tert-butoxycarbonylamino)-4-methyl-1H-indole-2-carboxylate Methyl 7-(3-acetyloxypropoxy)-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylate
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Formula C21H28N2O7
InChI InChI=1S/C21H28N2O7/c1-12-14-10-16(19(25)27-6)22-18(14)17(29-9-7-8-28-13(2)24)11-15(12)23-20(26)30-21(3,4)5/h10-11,22H,7-9H2,1-6H3,(H,23,26)
InChIKey YOOOSUOFSDVHGI-UHFFFAOYSA-N
Molecular Weight 420.462 g/mol
SMILES [nH]1c2c(c(c(cc2OCCCOC(=O)C)NC(=O)OC(C)(C)C)C)cc1C(=O)OC
SPLASH splash10-0udi-3900000000-626678901d042ace1a26
Source of Spectrum E1-46-566-29
Wiley ID 1554255