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1-(2-(Methoxycarbonyl)-2-propenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1-(2-(Methoxycarbonyl)-2-propenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SpectraBase Compound ID Kag76535esy
InChI InChI=1S/C13H13N3O4/c1-9(11(17)20-2)8-15-13(19)16(12(18)14-15)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,14,18)
InChIKey IUCIEPLKMDTTNI-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1zDOwTAOJRl
Name 1-(2-(Methoxycarbonyl)-2-propenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.090605907 u
Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-9(11(17)20-2)8-15-13(19)16(12(18)14-15)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,14,18)
InChIKey IUCIEPLKMDTTNI-UHFFFAOYSA-N
SMILES C1(N(C(N(N1)CC(C(=O)OC)=C)=O)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812458