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Deoxymodafinil

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

Deoxymodafinil
SpectraBase Compound ID JQLpQqD4sFE
InChI InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKey HCRQRIFRHGPWBH-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C15H15NOS
Exact Mass 257.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5BoAfUoibpQ
Name Deoxymodafinil
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.087435280 u
Formula C15H15NOS
InChI InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
InChIKey HCRQRIFRHGPWBH-UHFFFAOYSA-N
Molecular Weight 257.351 g/mol
SMILES C(C=1C=CC=CC1)(C1=CC=CC=C1)SCC(=O)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901407