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(.alpha.R,3S,5S)-N-(2-Hydroxy-1-phenylethyl)-5-methylthio-3-phthalimidopiperidin-2-one

View entire compound with spectra: 1 MS (GC)

(.alpha.R,3S,5S)-N-(2-Hydroxy-1-phenylethyl)-5-methylthio-3-phthalimidopiperidin-2-one
SpectraBase Compound ID CPA4xJm1KTd
InChI InChI=1S/C22H22N2O4S/c1-29-15-11-18(24-20(26)16-9-5-6-10-17(16)21(24)27)22(28)23(12-15)19(13-25)14-7-3-2-4-8-14/h2-10,15,18-19,25H,11-13H2,1H3/t15-,18-,19-/m0/s1
InChIKey PJQUIHRLCBCRNT-SNRMKQJTSA-N
Mol Weight 410.49 g/mol
Molecular Formula C22H22N2O4S
Exact Mass 410.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UlHgAAQDwU
Name (.alpha.R,3S,5S)-N-(2-Hydroxy-1-phenylethyl)-5-methylthio-3-phthalimidopiperidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4S
InChI InChI=1S/C22H22N2O4S/c1-29-15-11-18(24-20(26)16-9-5-6-10-17(16)21(24)27)22(28)23(12-15)19(13-25)14-7-3-2-4-8-14/h2-10,15,18-19,25H,11-13H2,1H3/t15-,18-,19-/m0/s1
InChIKey PJQUIHRLCBCRNT-SNRMKQJTSA-N
Molecular Weight 410.488 g/mol
SMILES OC[C@](N1C([C@@](N2C(c3ccccc3C2=O)=O)(C[C@@](C1)(SC)[H])[H])=O)(c1ccccc1)[H]
SPLASH splash10-004i-0439000000-d0bf833168e7a2225ea8
Source of Spectrum F-52-7734-13
Synonyms 2-[(3S,5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanyl)-2-oxopiperidinyl]-1H-isoindole-1,3(2H)-dione
Wiley ID 796755