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.alpha.-(3-Methoxypropylthio)butyrophenone

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

.alpha.-(3-Methoxypropylthio)butyrophenone
SpectraBase Compound ID 87C6wWpB1vl
InChI InChI=1S/C14H20O2S/c1-3-13(17-11-7-10-16-2)14(15)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKey MTZWUYLJEBVXKO-UHFFFAOYSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3qrO1UEuL0q
Name .alpha.-(3-Methoxypropylthio)butyrophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.118401056 u
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c1-3-13(17-11-7-10-16-2)14(15)12-8-5-4-6-9-12/h4-6,8-9,13H,3,7,10-11H2,1-2H3
InChIKey MTZWUYLJEBVXKO-UHFFFAOYSA-N
Molecular Weight 252.372 g/mol
SMILES C(=O)(C1=CC=CC=C1)C(SCCCOC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869503