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Methylphenidate ME @

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

Methylphenidate ME @
SpectraBase Compound ID H7e7HIxlB9R
InChI InChI=1S/C15H21NO2/c1-16-11-7-6-10-13(16)14(15(17)18-2)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3
InChIKey ZMWIDYCUFHNGLQ-UHFFFAOYSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6uJo0NKDw4p
Name Methylphenidate me @P587
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.157228918 u
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-16-11-7-6-10-13(16)14(15(17)18-2)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3
InChIKey ZMWIDYCUFHNGLQ-UHFFFAOYSA-N
Molecular Weight 247.338 g/mol
SMILES C1CCN(C(C1)C(C(OC)=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944538