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2,4-Dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-3H-1,2,4-triazol-3-one

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

2,4-Dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-3H-1,2,4-triazol-3-one
SpectraBase Compound ID 6ZSM09TftiL
InChI InChI=1S/C15H21N3O3/c1-5-6-9-21-13-10-11(7-8-12(13)20-4)14-16-18(3)15(19)17(14)2/h7-8,10H,5-6,9H2,1-4H3
InChIKey VYYKTEDPJVSKLQ-UHFFFAOYSA-N
Mol Weight 291.35 g/mol
Molecular Formula C15H21N3O3
Exact Mass 291.158292 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5DEticMBxYl
Name 2,4-Dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-3H-1,2,4-triazol-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.158291545 u
Formula C15H21N3O3
InChI InChI=1S/C15H21N3O3/c1-5-6-9-21-13-10-11(7-8-12(13)20-4)14-16-18(3)15(19)17(14)2/h7-8,10H,5-6,9H2,1-4H3
InChIKey VYYKTEDPJVSKLQ-UHFFFAOYSA-N
SMILES C=1(N(C(N(N1)C)=O)C)C=1C=C(OCCCC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950072