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N-[(3S,5R,6S)-5-Methoxy-6-methyl-4-oxo-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
SpectraBase Compound ID LFp1VrQK32w
InChI InChI=1S/C21H24N2O5S/c1-15-20(28-3)18(24)14-19(22(2)21(25)16-10-6-4-7-11-16)23(15)29(26,27)17-12-8-5-9-13-17/h4-13,15,19-20H,14H2,1-3H3/t15-,19?,20+/m0/s1
InChIKey UBNUDTRYHFZKCX-DVLXCBSQSA-N
Mol Weight 416.49 g/mol
Molecular Formula C21H24N2O5S
Exact Mass 416.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VwaDpA2Wnn
Name N-[(3S,5R,6S)-5-Methoxy-6-methyl-4-oxo-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
Alternate Name(s) N-[(5R,6S)-5-methoxy-6-methyl-4-oxo-1-(phenylsulfonyl)piperidinyl]-N-methylbenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O5S
InChI InChI=1S/C21H24N2O5S/c1-15-20(28-3)18(24)14-19(22(2)21(25)16-10-6-4-7-11-16)23(15)29(26,27)17-12-8-5-9-13-17/h4-13,15,19-20H,14H2,1-3H3/t15-,19?,20+/m0/s1
InChIKey UBNUDTRYHFZKCX-DVLXCBSQSA-N
Molecular Weight 416.492 g/mol
SMILES c1(S(N2C(N(C(=O)c3ccccc3)C)CC([C@@]([C@@]2(C)[H])(OC)[H])=O)(=O)=O)ccccc1
SPLASH splash10-0a6r-7900000000-2ebcee60432d5c97a91b
Source of Spectrum J-67-3192-9
Wiley ID 1569751