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Methyl 1-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)cyclopropane-1-carboxylate

View entire compound with spectra: 1 FTIR

Methyl 1-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)cyclopropane-1-carboxylate
SpectraBase Compound ID Bw0FFjTgC9n
InChI InChI=1S/C13H13N3O4/c1-20-10(17)13(7-8-13)16-12(19)15(11(18)14-16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,18)
InChIKey KVOZNPZZYHJXEC-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 Crtmoq8CrSl
Name Methyl 1-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)cyclopropane-1-carboxylate
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/c1-20-10(17)13(7-8-13)16-12(19)15(11(18)14-16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,18)
InChIKey KVOZNPZZYHJXEC-UHFFFAOYSA-N
SMILES COC(=O)C1(N2C(N(C(N2)=O)C=2C=CC=CC2)=O)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970314