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

*Links on SpectraBase are not permalinks.

5-(1-ADAMANTYL)-4-(4,5-DIMETHOXY-2-NITROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE

View entire compound with spectra: 1 NMR

5-(1-ADAMANTYL)-4-(4,5-DIMETHOXY-2-NITROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 7X1ZI1Lj572
InChI InChI=1S/C30H40N6O6S/c1-4-42-27(37)22-5-7-33(8-6-22)18-34-29(43)35(28(32-34)30-14-19-9-20(15-30)11-21(10-19)16-30)31-17-23-12-25(40-2)26(41-3)13-24(23)36(38)39/h12-13,17,19-22H,4-11,14-16,18H2,1-3H3/b31-17+/t19-,20+,21-,30-
InChIKey XKOCANHMRUMKDB-BAALGLPGSA-N
Mol Weight 612.7 g/mol
Molecular Formula C30H40N6O6S
Exact Mass 612.273004 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 IK3EqMDwWzO
Name 5-(1-ADAMANTYL)-4-(4,5-DIMETHOXY-2-NITROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40N6O6S
InChI InChI=1S/C30H40N6O6S/c1-4-42-27(37)22-5-7-33(8-6-22)18-34-29(43)35(28(32-34)30-14-19-9-20(15-30)11-21(10-19)16-30)31-17-23-12-25(40-2)26(41-3)13-24(23)36(38)39/h12-13,17,19-22H,4-11,14-16,18H2,1-3H3/b31-17+/t19-,20+,21-,30-
InChIKey XKOCANHMRUMKDB-BAALGLPGSA-N
Literature Reference Author M.A.AL-OMAR,E.S.AL-ABDULLAH,I.A.SHEHATA,E.E.HABIB,T.M.IBRAHI M,A.A.EL-EMAM
Literature Reference Citation MOLECULES,15,2526(2010)
Literature Reference DOI 10.3390/molecules15042526
Molecular Weight 612.744 g/mol
Sample ID 70320
Solvent Unknown