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

*Links on SpectraBase are not permalinks.
2-Phenyl-7-ethynyl-1,3-dioxo-2,4,9-triazabicyclo[4.3.0]non-6-ene
SpectraBase Compound ID AUp2LKLuAWp
InChI InChI=1S/C14H11N3O2/c1-2-11-8-9-15-13(18)17(14(19)16(15)10-11)12-6-4-3-5-7-12/h1,3-8H,9-10H2
InChIKey OVXXMHFABSRCQW-UHFFFAOYSA-N
Mol Weight 253.26 g/mol
Molecular Formula C14H11N3O2
Exact Mass 253.085127 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 D7g93Xv41DG
Name 2-Phenyl-7-ethynyl-1,3-dioxo-2,4,9-triazabicyclo[4.3.0]non-6-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O2
InChI InChI=1S/C14H11N3O2/c1-2-11-8-9-15-13(18)17(14(19)16(15)10-11)12-6-4-3-5-7-12/h1,3-8H,9-10H2
InChIKey OVXXMHFABSRCQW-UHFFFAOYSA-N
Molecular Weight 253.261 g/mol
SMILES C1(N(C(N2CC=C(CN12)C#C)=O)c1ccccc1)=O
SPLASH splash10-0ufr-9080000000-40dd63a6919e65fdd85d
Source of Spectrum U-1996-823-36
Synonyms 6-Ethynyl-2-phenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Wiley ID 768407