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

*Links on SpectraBase are not permalinks.
3-{10-cyano-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0(2,7)]trideca-2(7),3,5,9,11-pentaen-12-yl}propanoic acid
SpectraBase Compound ID LfnD1YR4W1z
InChI InChI=1S/C16H13N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,18H,6-7H2,1H3,(H,20,21)
InChIKey QRWDFJMBLRVKEP-UHFFFAOYSA-N
Mol Weight 295.3 g/mol
Molecular Formula C16H13N3O3
Exact Mass 295.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AM3lumdhVJ1
Name 3-{10-cyano-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0(2,7)]trideca-2(7),3,5,9,11-pentaen-12-yl}propanoic acid
Alternate Name(s) Pyrido[1,2-a][1,3]benzimidazole-2-propanoic acid, 4-cyano-1,5-dihydro-3-methyl-1-oxo- 3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid 3-(4-cyano-3-methyl-1-oxidanylidene-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O3
InChI InChI=1S/C16H13N3O3/c1-9-10(6-7-14(20)21)16(22)19-13-5-3-2-4-12(13)18-15(19)11(9)8-17/h2-5,18H,6-7H2,1H3,(H,20,21)
InChIKey QRWDFJMBLRVKEP-UHFFFAOYSA-N
Molecular Weight 295.298 g/mol
SMILES OC(CCC=1C(N2C(=C(C1C)C#N)Nc1ccccc21)=O)=O
SPLASH splash10-000i-7390000000-c106a75ac86f75b4e222
Source of Spectrum IY-2-4987-9
Wiley ID 1657862