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Phenylthioacetamide, N,N-dinonyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Phenylthioacetamide, N,N-dinonyl-
SpectraBase Compound ID IeIzMZIs6H2
InChI InChI=1S/C26H45NOS/c1-3-5-7-9-11-13-18-22-27(23-19-14-12-10-8-6-4-2)26(28)24-29-25-20-16-15-17-21-25/h15-17,20-21H,3-14,18-19,22-24H2,1-2H3
InChIKey UVWOPRXNFHKUBZ-UHFFFAOYSA-N
Mol Weight 419.7 g/mol
Molecular Formula C26H45NOS
Exact Mass 419.322186 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AkfIJotOzvB
Name Phenylthioacetamide, N,N-dinonyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.322186246 u
Formula C26H45NOS
InChI InChI=1S/C26H45NOS/c1-3-5-7-9-11-13-18-22-27(23-19-14-12-10-8-6-4-2)26(28)24-29-25-20-16-15-17-21-25/h15-17,20-21H,3-14,18-19,22-24H2,1-2H3
InChIKey UVWOPRXNFHKUBZ-UHFFFAOYSA-N
Molecular Weight 419.712 g/mol
SMILES C1=CC=CC(=C1)SCC(N(CCCCCCCCC)CCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930554