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S-107-M (sulfone) MS2

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

S-107-M (sulfone) MS2
SpectraBase Compound ID L5NORavwUmR
InChI InChI=1S/C11H15NO3S/c1-12-5-6-16(13,14)11-4-3-10(15-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKey IOVNCGQVVCXNRZ-UHFFFAOYSA-N
Mol Weight 241.3 g/mol
Molecular Formula C11H15NO3S
Exact Mass 241.077265 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IowFERO7LYD
Name S-107-m/Artifact (sulfone) P559
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 241.077264518 u
Formula C11H15NO3S
InChI InChI=1S/C11H15NO3S/c1-12-5-6-16(13,14)11-4-3-10(15-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3
InChIKey IOVNCGQVVCXNRZ-UHFFFAOYSA-N
Molecular Weight 241.305 g/mol
SMILES C=1C(=CC=C2C1CN(CCS2(=O)=O)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885785