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N1,N2-Bis(tert-butoxycarbonyl)-N1-(2-cyclohex-2-enyl)pyrrolidine-1-carboxamidine

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N1,N2-Bis(tert-butoxycarbonyl)-N1-(2-cyclohex-2-enyl)pyrrolidine-1-carboxamidine
SpectraBase Compound ID AXXeILZatR8
InChI InChI=1S/C21H35N3O4/c1-20(2,3)27-18(25)22-17(23-14-10-11-15-23)24(16-12-8-7-9-13-16)19(26)28-21(4,5)6/h12H,7-11,13-15H2,1-6H3/b22-17+
InChIKey VORSYORDCBKRTC-OQKWZONESA-N
Mol Weight 393.5 g/mol
Molecular Formula C21H35N3O4
Exact Mass 393.262757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CZkktBjzHsa
Name N1,N2-bis(Tert-butoxycarbonyl)-N1-(2-cyclohex-2-enyl)pyrrolidine-1-carboxamidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 393.262756615 u
Formula C21H35N3O4
InChI InChI=1S/C21H35N3O4/c1-20(2,3)27-18(25)22-17(23-14-10-11-15-23)24(16-12-8-7-9-13-16)19(26)28-21(4,5)6/h12H,7-11,13-15H2,1-6H3/b22-17+
InChIKey VORSYORDCBKRTC-OQKWZONESA-N
Molecular Weight 393.528 g/mol
SMILES C(N(\C(=N\C(OC(C)(C)C)=O)N1CCCC1)C1=CCCCC1)(OC(C)(C)C)=O