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7-METHYL-1-ADAMANTYL-3-ETHOXYCARBONYL-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
SpectraBase Compound ID JnMHCLrtmia
InChI InChI=1S/C18H23N5O3/c1-3-26-16(25)14-15(24)22-17(19-10(2)20-22)23(21-14)18-7-11-4-12(8-18)6-13(5-11)9-18/h11-13H,3-9H2,1-2H3/t11-,12-,13-,18+
InChIKey WSXLHXWOQVJCTQ-WFCRYOSGSA-N
Mol Weight 357.41 g/mol
Molecular Formula C18H23N5O3
Exact Mass 357.18009 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3f5faWyrn3O
Name 7-METHYL-1-ADAMANTYL-3-ETHOXYCARBONYL-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
Compound Number III E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23N5O3
InChI InChI=1S/C18H23N5O3/c1-3-26-16(25)14-15(24)22-17(19-10(2)20-22)23(21-14)18-7-11-4-12(8-18)6-13(5-11)9-18/h11-13H,3-9H2,1-2H3/t11-,12-,13-,18+
InChIKey WSXLHXWOQVJCTQ-WFCRYOSGSA-N
Literature Reference Author E.N.ULOMSKII,S.L.DEEV,A.V.TKACHEV,I.K.MOISEEV,V.L.RUSINOV
Literature Reference Citation RUSS.J.ORG.CHEM.,38,272(2002)
Literature Reference DOI 10.1023/A:1015538322029
Molecular Weight 357.412 g/mol
Solvent DMSO-D6