For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-METHYLSULFINYL-1-ADAMANTYL-3-ETHOXYCARBONYL-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
SpectraBase Compound ID Gdgp9J2ZFQN
InChI InChI=1S/C18H23N5O4S/c1-3-27-15(25)13-14(24)22-17(19-16(21-22)28(2)26)23(20-13)18-7-10-4-11(8-18)6-12(5-10)9-18/h10-12H,3-9H2,1-2H3/t10-,11-,12-,18+,28?
InChIKey HAYQIHNLUSRPHH-ZSIPZHIKSA-N
Mol Weight 405.47 g/mol
Molecular Formula C18H23N5O4S
Exact Mass 405.147075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DXB5qh3tzsZ
Name 7-METHYLSULFINYL-1-ADAMANTYL-3-ETHOXYCARBONYL-1,4-DIHYDRO-1,2,4-TRIAZOLO-[5.1-C]-1,2,4-TRIAZIN-4-ONE
Compound Number IIIH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23N5O4S
InChI InChI=1S/C18H23N5O4S/c1-3-27-15(25)13-14(24)22-17(19-16(21-22)28(2)26)23(20-13)18-7-10-4-11(8-18)6-12(5-10)9-18/h10-12H,3-9H2,1-2H3/t10-,11-,12-,18+,28?
InChIKey HAYQIHNLUSRPHH-ZSIPZHIKSA-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 405.472 g/mol
Solvent DMSO-D6