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5-[(4-cyclohexylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

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

5-[(4-cyclohexylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 89RJn3MCcoR
InChI InChI=1S/C24H34N4O3S/c1-26-22(17-29-21-9-7-20(8-10-21)19-5-3-2-4-6-19)25-28(23(26)32)18-27-13-11-24(12-14-27)30-15-16-31-24/h7-10,19H,2-6,11-18H2,1H3
InChIKey FGVPDORPUMCEGI-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C24H34N4O3S
Exact Mass 458.235162 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4e1D2v9ALBL
Name 5-[(4-Cyclohexylphenoxy)methyl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.235162142 u
Formula C24H34N4O3S
InChI InChI=1S/C24H34N4O3S/c1-26-22(17-29-21-9-7-20(8-10-21)19-5-3-2-4-6-19)25-28(23(26)32)18-27-13-11-24(12-14-27)30-15-16-31-24/h7-10,19H,2-6,11-18H2,1H3
InChIKey FGVPDORPUMCEGI-UHFFFAOYSA-N
Molecular Weight 458.621 g/mol
SMILES C1CCC(C2=CC=C(OCC3=NN(C(N3C)=S)CN3CCC4(CC3)OCCO4)C=C2)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826866