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.alpha.-(3-Methoxypropylthio)acetophenone

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

.alpha.-(3-Methoxypropylthio)acetophenone
SpectraBase Compound ID EsSoxSsmRCj
InChI InChI=1S/C12H16O2S/c1-14-8-5-9-15-10-12(13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey NNTBPXPNUXABSW-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1vPHbQsyNVy
Name .alpha.-(3-Methoxypropylthio)acetophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.087100927 u
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-14-8-5-9-15-10-12(13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChIKey NNTBPXPNUXABSW-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES C(=O)(C1=CC=CC=C1)CSCCCOC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927139