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4-(3-Isopropoxyphenyl)-1-isopropyl-6-methyl-2H,4H-pyrazolo[3,4-D][1,3]thiazin-3-one

View entire compound with spectra: 1 FTIR

4-(3-Isopropoxyphenyl)-1-isopropyl-6-methyl-2H,4H-pyrazolo[3,4-D][1,3]thiazin-3-one
SpectraBase Compound ID 4yQFWQOc72X
InChI InChI=1S/C18H23N3O2S/c1-10(2)21-17-15(18(22)20-21)16(24-12(5)19-17)13-7-6-8-14(9-13)23-11(3)4/h6-11,16H,1-5H3,(H,20,22)
InChIKey NPKPWHXPKLHLEM-UHFFFAOYSA-N
Mol Weight 345.46 g/mol
Molecular Formula C18H23N3O2S
Exact Mass 345.151098 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5M45RCsooEm
Name 4-(3-Isopropoxyphenyl)-1-isopropyl-6-methyl-2H,4H-pyrazolo[3,4-D][1,3]thiazin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.151098165 u
Formula C18H23N3O2S
InChI InChI=1S/C18H23N3O2S/c1-10(2)21-17-15(18(22)20-21)16(24-12(5)19-17)13-7-6-8-14(9-13)23-11(3)4/h6-11,16H,1-5H3,(H,20,22)
InChIKey NPKPWHXPKLHLEM-UHFFFAOYSA-N
Molecular Weight 345.461 g/mol
SMILES C1(=CC(OC(C)C)=CC=C1)C1C=2C(=O)NN(C2N=C(C)S1)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960639