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

*Links on SpectraBase are not permalinks.
2,3,6,7-TETRAHYDRO-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID EdYdZWCQ3DO
InChI InChI=1S/C20H17N5O3S/c1-29-20-23-18-17(19(26)24-20)21-15(13-7-9-14(10-8-13)25(27)28)11-16(22-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,22,23,24,26)
InChIKey FBTSKLPIOXAXMS-UHFFFAOYSA-N
Mol Weight 407.45 g/mol
Molecular Formula C20H17N5O3S
Exact Mass 407.105211 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 Cdc3jkszevo
Name 2,3,6,7-TETRAHYDRO-8-METHYLTHIO-4-(4-NITROPHENYL)-2-PHENYL-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17N5O3S
InChI InChI=1S/C20H17N5O3S/c1-29-20-23-18-17(19(26)24-20)21-15(13-7-9-14(10-8-13)25(27)28)11-16(22-18)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3,(H2,22,23,24,26)
InChIKey FBTSKLPIOXAXMS-UHFFFAOYSA-N
Literature Reference Author B.INSUASTY,M.RAMOS,J.QUIROGA,A.SANCHEZ,M.NOGUERAS,N.HANOLD,H .MEIER
Literature Reference Citation J.HETCYCL.CHEM.,31,61(1994)
Literature Reference DOI 10.1002/jhet.5570310111
Molecular Weight 407.447 g/mol
Solvent DMSO-D6
Source File Reference UWCS16678