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(2R,3S,6S)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propyl-piperidin-3-ol
SpectraBase Compound ID IX86S3PxSjA
InChI InChI=1S/C16H25NO3S/c1-4-5-14-8-11-16(18)13(3)17(14)21(19,20)15-9-6-12(2)7-10-15/h6-7,9-10,13-14,16,18H,4-5,8,11H2,1-3H3/t13-,14+,16+/m1/s1
InChIKey LXZWDDAJCORGPN-YCPHGPKFSA-N
Mol Weight 311.44 g/mol
Molecular Formula C16H25NO3S
Exact Mass 311.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68GIqgtWu8S
Name (2R,3S,6S)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propyl-piperidin-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3S
InChI InChI=1S/C16H25NO3S/c1-4-5-14-8-11-16(18)13(3)17(14)21(19,20)15-9-6-12(2)7-10-15/h6-7,9-10,13-14,16,18H,4-5,8,11H2,1-3H3/t13-,14+,16+/m1/s1
InChIKey LXZWDDAJCORGPN-YCPHGPKFSA-N
Molecular Weight 311.440 g/mol
SMILES O[C@@]1([C@](N(S(c2ccc(cc2)C)(=O)=O)[C@](CC1)(CCC)[H])(C)[H])[H]
SPLASH splash10-02tc-4392000000-10ee7e4ff8f0e4a33d1e
Source of Spectrum KC-1993-595-8
Synonyms (2R,3S,6S)-2-methyl-6-propyl-1-(p-tolylsulfonyl)piperidin-3-ol (2R,3S,6S)-2-methyl-6-propyl-1-tosyl-piperidin-3-ol (2R,3S,6S)-2-methyl-1-(4-methylphenyl)sulfonyl-6-propyl-3-piperidinol
Wiley ID 779052