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

*Links on SpectraBase are not permalinks.
3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6-CARBONITRILE;MINOR_REGIOISOMER
SpectraBase Compound ID JWwAvh16JN4
InChI InChI=1S/C15H13N3O/c16-9-10-6-7-12-13(8-10)17-14(18-15(12)19)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,17,18,19)/t10-/m0/s1
InChIKey MBRYEUKOGKRRIQ-JTQLQIEISA-N
Mol Weight 251.29 g/mol
Molecular Formula C15H13N3O
Exact Mass 251.105862 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 FKrUPZr0XuI
Name 3,4,5,6,7,8-HEXAHYDRO-4-OXO-2-PHENYLQUINAZOLINE-6-CARBONITRILE;MINOR_REGIOISOMER
Compound Number 12B'
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H13N3O
InChI InChI=1S/C15H13N3O/c16-9-10-6-7-12-13(8-10)17-14(18-15(12)19)11-4-2-1-3-5-11/h1-5,10H,6-8H2,(H,17,18,19)/t10-/m0/s1
InChIKey MBRYEUKOGKRRIQ-JTQLQIEISA-N
Literature Reference Author M.W.NOETZEL,K.RAUCH,T.LABAHN,A.DEMEIJERE
Literature Reference Citation ORG.LETTERS,4,839(2002)
Literature Reference DOI 10.1021/ol025530+
Molecular Weight 251.288 g/mol
Solvent DMSO-D6
Source File Reference UWMZ25394