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

*Links on SpectraBase are not permalinks.
3-Cyano-4-(2-methoxycarbonylphenyl)-1,2,4-oxadiazin-5(6H)-one
SpectraBase Compound ID IMRniYgQ4Jd
InChI InChI=1S/C12H9N3O4/c1-18-12(17)8-4-2-3-5-9(8)15-10(6-13)14-19-7-11(15)16/h2-5H,7H2,1H3
InChIKey RDPGGBIUYVFXDA-UHFFFAOYSA-N
Mol Weight 259.22 g/mol
Molecular Formula C12H9N3O4
Exact Mass 259.059306 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 JRIgQJumRbu
Name 3-Cyano-4-(2-methoxycarbonylphenyl)-1,2,4-oxadiazin-5(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O4
InChI InChI=1S/C12H9N3O4/c1-18-12(17)8-4-2-3-5-9(8)15-10(6-13)14-19-7-11(15)16/h2-5H,7H2,1H3
InChIKey RDPGGBIUYVFXDA-UHFFFAOYSA-N
Molecular Weight 259.221 g/mol
SMILES c1(N2C(=NOCC2=O)C#N)c(C(=O)OC)cccc1
SPLASH splash10-014j-0910000000-8800682ef20336f21626
Source of Spectrum H1-51-2663-12
Synonyms Methyl 2-(3-cyano-5-oxo-5,6-dihydro-4H-1,2,4-oxadiazin-4-yl)benzoate 2-(3-cyano-5-oxo-1,2,4-oxadiazin-4-yl)benzoic acid methyl ester Methyl 2-(3-cyano-5-oxo-1,2,4-oxadiazin-4-yl)benzoate Methyl 2-(3-cyano-5-oxidanylidene-1,2,4-oxadiazin-4-yl)benzoate
Wiley ID 817356