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

*Links on SpectraBase are not permalinks.
Methyl 1,3,7-trioxo-6-(triphenylphosphoranylidene)-hexahydropyrazolo[1,2-a][1,2,4]triazole-5-carboxylate
SpectraBase Compound ID 7KestHPPKzg
InChI InChI=1S/C25H20N3O5P/c1-33-23(30)20-21(22(29)28-25(32)26-24(31)27(20)28)34(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3,(H,26,31,32)
InChIKey MQLHWCBNTHDDDV-UHFFFAOYSA-N
Mol Weight 473.42 g/mol
Molecular Formula C25H20N3O5P
Exact Mass 473.114058 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 5x0oOoUCbD6
Name Methyl 1,3,7-trioxo-6-(triphenylphosphoranylidene)-hexahydropyrazolo[1,2-a][1,2,4]triazole-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N3O5P
InChI InChI=1S/C25H20N3O5P/c1-33-23(30)20-21(22(29)28-25(32)26-24(31)27(20)28)34(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16,20H,1H3,(H,26,31,32)
InChIKey MQLHWCBNTHDDDV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201200199
Molecular Weight 473.425 g/mol
SMILES N1C(N2N(C1=O)C(C(C2C(OC)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1)=O)=O
SPLASH splash10-0a5c-9535400000-2c46ceab9aa7f504af48
Source of Spectrum CJC-30-1897-9a
Synonyms Methyl 1,3,7-trioxo-6-(triphenylphosphoranylidene)hexahydropyrazolo[1,2-a][1,2,4]triazole-5-carboxylate
Wiley ID 1772786