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N-(3-Methoxypropyl)-2-(phenylsulfanyl)acetamide

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

N-(3-Methoxypropyl)-2-(phenylsulfanyl)acetamide
SpectraBase Compound ID IbwT5D3RZlb
InChI InChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14)
InChIKey SCRQWWZKADOQLP-UHFFFAOYSA-N
Mol Weight 239.33 g/mol
Molecular Formula C12H17NO2S
Exact Mass 239.098 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7QeifFUf2JS
Name N-(3-Methoxypropyl)-2-(phenylsulfanyl)acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.097999963 u
Formula C12H17NO2S
InChI InChI=1S/C12H17NO2S/c1-15-9-5-8-13-12(14)10-16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,13,14)
InChIKey SCRQWWZKADOQLP-UHFFFAOYSA-N
Molecular Weight 239.333 g/mol
SMILES C(SC1=CC=CC=C1)C(=O)NCCCOC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946