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

*Links on SpectraBase are not permalinks.
4-(4-NITROPHENYL)-8-METHYLTHIO-2,3,6,7-TETRAHYDRO-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
SpectraBase Compound ID ZZXXlGT8eG
InChI InChI=1S/C14H13N5O3S/c1-23-14-17-12-11(13(20)18-14)16-10(6-7-15-12)8-2-4-9(5-3-8)19(21)22/h2-5H,6-7H2,1H3,(H2,15,17,18,20)
InChIKey QBHZNLRPMMMVGX-UHFFFAOYSA-N
Mol Weight 331.35 g/mol
Molecular Formula C14H13N5O3S
Exact Mass 331.07391 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 k2EQhd8zDK
Name 4-(4-NITROPHENYL)-8-METHYLTHIO-2,3,6,7-TETRAHYDRO-1H-PYRIMIDO-[4,5-B]-[1,4]-DIAZEPIN-6-ONE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13N5O3S
InChI InChI=1S/C14H13N5O3S/c1-23-14-17-12-11(13(20)18-14)16-10(6-7-15-12)8-2-4-9(5-3-8)19(21)22/h2-5H,6-7H2,1H3,(H2,15,17,18,20)
InChIKey QBHZNLRPMMMVGX-UHFFFAOYSA-N
Literature Reference Author B.INSUASTY,J.C.ARGOTI,S.GOMEZ,J.QUIROGA,R.MARTINEZ,E.ANGELES ,R.GABINO,M.NOGUERAS
Literature Reference Citation J.HETCYCL.CHEM.,35,1397(1998)
Literature Reference DOI 10.1002/jhet.5570350629
Molecular Weight 331.349 g/mol
Solvent TFA-D1
Source File Reference UWCP8792