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2-[4-(Benzyloxycarbonyl)amino-2-(tert-butyloxycarbonyl)aminophenyl]propane-1,3-diol
SpectraBase Compound ID GrJHGO8QnBe
InChI InChI=1S/C22H28N2O6/c1-22(2,3)30-21(28)24-19-11-17(9-10-18(19)16(12-25)13-26)23-20(27)29-14-15-7-5-4-6-8-15/h4-11,16,25-26H,12-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKey ZBYOWOMHTQQZTE-UHFFFAOYSA-N
Mol Weight 416.47 g/mol
Molecular Formula C22H28N2O6
Exact Mass 416.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kocIDTmOd3
Name 2-[4-(Benzyloxycarbonyl)amino-2-(tert-butyloxycarbonyl)aminophenyl]propane-1,3-diol
Alternate Name(s) benzyl 3-[(tert-butoxycarbonyl)amino]-4-[2-hydroxy-1-(hydroxymethyl)ethyl]phenylcarbamate N-[4-(1,3-dihydroxypropan-2-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]carbamic acid (phenylmethyl) ester benzyl N-[4-(1,3-dihydroxypropan-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate tert-butyl N-[5-(benzyloxycarbonylamino)-2-[2-hydroxy-1-(hydroxymethyl)ethyl]phenyl]carbamate (phenylmethyl) N-[4-[1,3-bis(oxidanyl)propan-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C22H28N2O6
InChI InChI=1S/C22H28N2O6/c1-22(2,3)30-21(28)24-19-11-17(9-10-18(19)16(12-25)13-26)23-20(27)29-14-15-7-5-4-6-8-15/h4-11,16,25-26H,12-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKey ZBYOWOMHTQQZTE-UHFFFAOYSA-N
Molecular Weight 416.474 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c(C(CO)CO)ccc(c1)NC(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-bf529a09850000b6cfec
Source of Spectrum KC-0-514-19
Wiley ID 824366