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

*Links on SpectraBase are not permalinks.
(E)- and (Z)-1-(1-(1-methyl-1-propenyl)-2-oxocyclohexyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID DyKk48OFbyz
InChI InChI=1S/C18H21N3O3/c1-3-13(2)18(12-8-7-11-15(18)22)21-17(24)20(16(23)19-21)14-9-5-4-6-10-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,23)/b13-3+
InChIKey ZBJKGQPFLHZLIK-QLKAYGNNSA-N
Mol Weight 327.38 g/mol
Molecular Formula C18H21N3O3
Exact Mass 327.158292 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 EiofjDDPmHl
Name (E)- and (Z)-1-(1-(1-methyl-1-propenyl)-2-oxocyclohexyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CAS Registry Number 74552-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21N3O3
InChI InChI=1S/C18H21N3O3/c1-3-13(2)18(12-8-7-11-15(18)22)21-17(24)20(16(23)19-21)14-9-5-4-6-10-14/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,19,23)/b13-3+
InChIKey ZBJKGQPFLHZLIK-QLKAYGNNSA-N
Molecular Weight 327.384 g/mol
SMILES N1N(C(N(C1=O)c1ccccc1)=O)C1(\C(=C\C)C)C(=O)CCCC1
SPLASH splash10-0udi-2900000000-f8572cc8fedeabb79720
Source of Spectrum J-45-4291-0
Synonyms 1-{1-[(1E)-1-methyl-1-propenyl]-2-oxocyclohexyl}-4-phenyl-1,2,4-triazolidine-3,5-dione
Wiley ID 1325534