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

*Links on SpectraBase are not permalinks.

2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

View entire compound with spectra: 2 NMR

2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID KIj2gMVhbrB
InChI InChI=1S/C14H13N5O3/c1-7-6-10(20)19-13(15-7)16-14(17-19)18-11(21)8-4-2-3-5-9(8)12(18)22/h2-3,6,8-9H,4-5H2,1H3,(H,15,16,17)
InChIKey VMJPIELIJXZCJG-UHFFFAOYSA-N
Mol Weight 299.29 g/mol
Molecular Formula C14H13N5O3
Exact Mass 299.101839 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 K0kgtAvKlGp
Name 2-(5-Methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-2-yl)-3A,4,7,7A-tetrahydro-1H-isoindole-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.101839296 u
Formula C14H13N5O3
InChI InChI=1S/C14H13N5O3/c1-7-6-10(20)19-13(15-7)16-14(17-19)18-11(21)8-4-2-3-5-9(8)12(18)22/h2-3,6,8-9H,4-5H2,1H3,(H,15,16,17)
InChIKey VMJPIELIJXZCJG-UHFFFAOYSA-N
SMILES N1C(=CC(N2N=C(N=C12)N1C(C2CC=CCC2C1=O)=O)=O)C