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Acetamide, 2-phenylthio-N-(2-butyl)-N-hexyl-

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Acetamide, 2-phenylthio-N-(2-butyl)-N-hexyl-
SpectraBase Compound ID JPpLHUnh1KU
InChI InChI=1S/C18H29NOS/c1-4-6-7-11-14-19(16(3)5-2)18(20)15-21-17-12-9-8-10-13-17/h8-10,12-13,16H,4-7,11,14-15H2,1-3H3
InChIKey JWTAHQPIULRDTD-UHFFFAOYSA-N
Mol Weight 307.5 g/mol
Molecular Formula C18H29NOS
Exact Mass 307.196986 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8bTO7S7OtUh
Name Acetamide, 2-phenylthio-N-(2-butyl)-N-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.196985731 u
Formula C18H29NOS
InChI InChI=1S/C18H29NOS/c1-4-6-7-11-14-19(16(3)5-2)18(20)15-21-17-12-9-8-10-13-17/h8-10,12-13,16H,4-7,11,14-15H2,1-3H3
InChIKey JWTAHQPIULRDTD-UHFFFAOYSA-N
Molecular Weight 307.496 g/mol
SMILES C(N(CCCCCC)C(CC)C)(=O)CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826574