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(+/-)-threo-4-Methylmethylphenidate
SpectraBase Compound ID BQPcKW0KNgT
InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKey WJZNCJIOIACDBR-KBPBESRZSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58SydzslpxN
Name (.+/-.)-threo-4-Methylmethylphenidate
Catalog Number 35030
Lot Number 661429
CAS Registry Number 680996-70-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.157228918 u
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-11-6-8-12(9-7-11)14(15(17)18-2)13-5-3-4-10-16-13/h6-9,13-14,16H,3-5,10H2,1-2H3/t13-,14-/m0/s1
InChIKey WJZNCJIOIACDBR-KBPBESRZSA-N
Molecular Weight 247.338 g/mol
Purity >=98%
Quality 986
SMILES N1[C@@](CCCC1)([C@@](C(OC)=O)(C1=CC=C(C=C1)C)[H])[H]
SPLASH splash10-001i-9300000000-fe27abfc19e52f3f1c82
Source of Spectrum CAY-2024-2229-0
Synonyms (+/-)-4-MeTMP methyl (S)-2-((S)-piperidin-2-yl)-2-(p-tolyl)acetate methyl (2S)-2-(4-methylphenyl)-2-[(2S)-piperidin-2-yl]acetate
Wiley ID 1890419