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N-(Tert-butoxycarbonyl)-16-(methoxycarbonyl)-14-ethyl-D-norcleavamine isomer

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-(Tert-butoxycarbonyl)-16-(methoxycarbonyl)-14-ethyl-D-norcleavamine isomer
SpectraBase Compound ID 6cLlf44KQU
InChI InChI=1S/C23H32N2O4/c1-6-15-13-18(21(26)28-5)20-17(16-9-7-8-10-19(16)24-20)11-12-25(14-15)22(27)29-23(2,3)4/h7-10,15,18,24H,6,11-14H2,1-5H3
InChIKey LDUPFDJIQPIURD-UHFFFAOYSA-N
Mol Weight 400.5 g/mol
Molecular Formula C23H32N2O4
Exact Mass 400.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJg09dEipgL
Name N-(Tert-butoxycarbonyl)-16-(methoxycarbonyl)-14-ethyl-D-norcleavamine isomer
Comments Computed using HOSE algorithm
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Exact Mass 400.236207514 u
Formula C23H32N2O4
InChI InChI=1S/C23H32N2O4/c1-6-15-13-18(21(26)28-5)20-17(16-9-7-8-10-19(16)24-20)11-12-25(14-15)22(27)29-23(2,3)4/h7-10,15,18,24H,6,11-14H2,1-5H3
InChIKey LDUPFDJIQPIURD-UHFFFAOYSA-N
Molecular Weight 400.519 g/mol
SMILES C12=C(C=3C=CC=CC3N2)CCN(C(OC(C)(C)C)=O)CC(CC1C(=O)OC)CC