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2-[(1S,2S)-2-(tert-Butoxycarbonylamino)-1,3-(diacetyloxy)propyl]-3-formylindole

View entire compound with spectra: 1 MS (GC)

2-[(1S,2S)-2-(tert-Butoxycarbonylamino)-1,3-(diacetyloxy)propyl]-3-formylindole
SpectraBase Compound ID 7Bej51ssd0y
InChI InChI=1S/C21H26N2O7/c1-12(25)28-11-17(23-20(27)30-21(3,4)5)19(29-13(2)26)18-15(10-24)14-8-6-7-9-16(14)22-18/h6-10,17,19,22H,11H2,1-5H3,(H,23,27)/t17-,19-/m0/s1
InChIKey KVRDZGPGQHJMDI-HKUYNNGSSA-N
Mol Weight 418.45 g/mol
Molecular Formula C21H26N2O7
Exact Mass 418.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrPCFg2R9Pg
Name 2-[(1S,2S)-2-(tert-Butoxycarbonylamino)-1,3-(diacetyloxy)propyl]-3-formylindole
Alternate Name(s) (1S,2S)-3-(acetyloxy)-2-[(tert-butoxycarbonyl)amino]-1-(3-formyl-1H-indol-2-yl)propyl acetate Acetic acid[(2S,3S)-3-acetoxy-2-(tert-butoxycarbonylamino)-3-(3-formyl-1H-indol-2-yl)propyl]ester Acetic acid[(2S,3S)-3-acetyloxy-3-(3-formyl-1H-indol-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]ester [(2S,3S)-3-acetoxy-2-(tert-butoxycarbonylamino)-3-(3-formyl-1H-indol-2-yl)propyl]acetate [(2S,3S)-3-acetyloxy-3-(3-formyl-1H-indol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]acetate [(2S,3S)-3-acetyloxy-3-(3-methanoyl-1H-indol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]ethanoate Acetic acid [(2S,3S)-3-acetyloxy-3-(3-formyl-1H-indol-2-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester [(2S,3S)-3-acetyloxy-3-(3-formyl-1H-indol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] acetate [(2S,3S)-3-acetoxy-2-(tert-butoxycarbonylamino)-3-(3-formyl-1H-indol-2-yl)propyl] acetate [(2S,3S)-3-acetyloxy-3-(3-methanoyl-1H-indol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanoate
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Formula C21H26N2O7
InChI InChI=1S/C21H26N2O7/c1-12(25)28-11-17(23-20(27)30-21(3,4)5)19(29-13(2)26)18-15(10-24)14-8-6-7-9-16(14)22-18/h6-10,17,19,22H,11H2,1-5H3,(H,23,27)/t17-,19-/m0/s1
InChIKey KVRDZGPGQHJMDI-HKUYNNGSSA-N
Molecular Weight 418.446 g/mol
SMILES [nH]1c2ccccc2c(c1[C@]([C@@](NC(OC(C)(C)C)=O)(COC(=O)C)[H])(OC(=O)C)[H])C=O
SPLASH splash10-0ar0-6960000000-63a7b6d2c017a41d44cf
Source of Spectrum E1-41-859-30
Wiley ID 1552064