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(E)-N-(2-Tert-butylphenyl)-N-methyl-2-methylpent-4-enethioamide

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

(E)-N-(2-Tert-butylphenyl)-N-methyl-2-methylpent-4-enethioamide
SpectraBase Compound ID 8Q18ac28YTi
InChI InChI=1S/C17H25NS/c1-7-10-13(2)16(19)18(6)15-12-9-8-11-14(15)17(3,4)5/h7-9,11-13H,1,10H2,2-6H3
InChIKey GALLFKHGPAOTDS-UHFFFAOYSA-N
Mol Weight 275.45 g/mol
Molecular Formula C17H25NS
Exact Mass 275.170771 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4oDLil15TuE
Name (E)-N-(2-Tert-butylphenyl)-N-methyl-2-methylpent-4-enethioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.170770983 u
Formula C17H25NS
InChI InChI=1S/C17H25NS/c1-7-10-13(2)16(19)18(6)15-12-9-8-11-14(15)17(3,4)5/h7-9,11-13H,1,10H2,2-6H3
InChIKey GALLFKHGPAOTDS-UHFFFAOYSA-N
Molecular Weight 275.454 g/mol
SMILES C(C(CC=C)C)(N(C)C=1C(=CC=CC1)C(C)(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.896803