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N,N'-Bis(tert-butoxycarbonyl)-2-(N"-phenylcarboxamidyl)-1,3-diazabicyclo[4.3.0]nonane
SpectraBase Compound ID CI29LfP4oe3
InChI InChI=1S/C24H35N3O5/c1-23(2,3)31-21(29)26-17-14-10-11-15-18(17)27(22(30)32-24(4,5)6)20(26)19(28)25-16-12-8-7-9-13-16/h7-9,12-13,17-18,20H,10-11,14-15H2,1-6H3,(H,25,28)/t17-,18-/m1/s1
InChIKey YUSMBLZBSOYXRC-QZTJIDSGSA-N
Mol Weight 445.6 g/mol
Molecular Formula C24H35N3O5
Exact Mass 445.257671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5w3C6z0f76O
Name N,N'-Bis(tert-butoxycarbonyl)-2-(N"-phenylcarboxamidyl)-1,3-diazabicyclo[4.3.0]nonane
Alternate Name(s) N,N'-Bis(tert-butoxycarbonyl)-2-(N''-phenylcarboxamidyl)-1,3-diazabicyclo[4.3.0]nonane (3aR,7aR)-2-[anilino(oxo)methyl]-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylic acid ditert-butyl ester ditert-butyl (3aR,7aR)-2-(phenylcarbamoyl)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate
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Formula C24H35N3O5
InChI InChI=1S/C24H35N3O5/c1-23(2,3)31-21(29)26-17-14-10-11-15-18(17)27(22(30)32-24(4,5)6)20(26)19(28)25-16-12-8-7-9-13-16/h7-9,12-13,17-18,20H,10-11,14-15H2,1-6H3,(H,25,28)/t17-,18-/m1/s1
InChIKey YUSMBLZBSOYXRC-QZTJIDSGSA-N
Molecular Weight 445.560 g/mol
SMILES N(C(C1N(C(OC(C)(C)C)=O)[C@]2([C@](N1C(OC(C)(C)C)=O)(CCCC2)[H])[H])=O)c1ccccc1
SPLASH splash10-0a6r-9302000000-cbd59c0651bdaa1403a1
Source of Spectrum F-54-14260-12
Wiley ID 809687