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N-(Tert-butoxycarbonyl)-16-(methoxycarbonyl)-D-norcleavamine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(Tert-butoxycarbonyl)-16-(methoxycarbonyl)-D-norcleavamine
SpectraBase Compound ID HFHqFvw5B5L
InChI InChI=1S/C21H28N2O4/c1-21(2,3)27-20(25)23-12-7-9-16(19(24)26-4)18-15(11-13-23)14-8-5-6-10-17(14)22-18/h5-6,8,10,16,22H,7,9,11-13H2,1-4H3
InChIKey GKBACHZHNQOBPN-UHFFFAOYSA-N
Mol Weight 372.47 g/mol
Molecular Formula C21H28N2O4
Exact Mass 372.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJLUtjBCuct
Name N-(Tert-butoxycarbonyl)-16-(methoxycarbonyl)-D-norcleavamine
Comments Computed using HOSE algorithm
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Exact Mass 372.204907386 u
Formula C21H28N2O4
InChI InChI=1S/C21H28N2O4/c1-21(2,3)27-20(25)23-12-7-9-16(19(24)26-4)18-15(11-13-23)14-8-5-6-10-17(14)22-18/h5-6,8,10,16,22H,7,9,11-13H2,1-4H3
InChIKey GKBACHZHNQOBPN-UHFFFAOYSA-N
Molecular Weight 372.465 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN(C(OC(C)(C)C)=O)CCCC1C(=O)OC