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N-(2-Methyl-2-phenylthiopropyl)-1-naphthamide

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

N-(2-Methyl-2-phenylthiopropyl)-1-naphthamide
SpectraBase Compound ID JOSUp87qdaj
InChI InChI=1S/C21H21NOS/c1-21(2,24-17-11-4-3-5-12-17)15-22-20(23)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,15H2,1-2H3,(H,22,23)
InChIKey PDIVNGPAGIJHEA-UHFFFAOYSA-N
Mol Weight 335.47 g/mol
Molecular Formula C21H21NOS
Exact Mass 335.134385 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EGclkTCfNDa
Name N-(2-Methyl-2-phenylthiopropyl)-1-naphthamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.134385473 u
Formula C21H21NOS
InChI InChI=1S/C21H21NOS/c1-21(2,24-17-11-4-3-5-12-17)15-22-20(23)19-14-8-10-16-9-6-7-13-18(16)19/h3-14H,15H2,1-2H3,(H,22,23)
InChIKey PDIVNGPAGIJHEA-UHFFFAOYSA-N
Molecular Weight 335.465 g/mol
SMILES C(C1=C2C(C=CC=C2)=CC=C1)(NCC(SC1=CC=CC=C1)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890356