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

*Links on SpectraBase are not permalinks.
(4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
SpectraBase Compound ID 6f8FOsTuNih
InChI InChI=1S/C18H13N3O5/c1-11-15(8-12-2-7-16-17(9-12)26-10-25-16)18(22)20(19-11)13-3-5-14(6-4-13)21(23)24/h2-9H,10H2,1H3/b15-8+
InChIKey PUEAFTYVAXQRDN-OVCLIPMQSA-N
Mol Weight 351.32 g/mol
Molecular Formula C18H13N3O5
Exact Mass 351.085521 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 CXJJj1GizxU
Name (4E)-4-(1,3-benzodioxol-5-ylmethylene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O5
InChI InChI=1S/C18H13N3O5/c1-11-15(8-12-2-7-16-17(9-12)26-10-25-16)18(22)20(19-11)13-3-5-14(6-4-13)21(23)24/h2-9H,10H2,1H3/b15-8+
InChIKey PUEAFTYVAXQRDN-OVCLIPMQSA-N
Molecular Weight 351.318 g/mol
SMILES C1(\C(C(=NN1c1ccc(N(=O)=O)cc1)C)=C\c1cc2OCOc2cc1)=O
SPLASH splash10-0v5i-9613000000-cb1afa234381502a4168
Synonyms (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-nitrophenyl)-3-pyrazolone (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-5-methyl-2-(4-nitrophenyl)pyrazol-3-one (4E)-5-methyl-2-(4-nitrophenyl)-4-piperonylidene-2-pyrazolin-3-one
Wiley ID 1452822