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trans-3-Ethyl-1-(2-Hydroxyethyl)-2-(1-(phenylsulfonyl)-3-indolyl)-4-piperidone Ethylene Acetal
SpectraBase Compound ID J1F5jnj24JI
InChI InChI=1S/C25H30N2O5S/c1-2-22-24(26(14-15-28)13-12-25(22)31-16-17-32-25)21-18-27(23-11-7-6-10-20(21)23)33(29,30)19-8-4-3-5-9-19/h3-11,18,22,24,28H,2,12-17H2,1H3/t22-,24-/m1/s1
InChIKey QHZUIGCISJVKSV-ISKFKSNPSA-N
Mol Weight 470.58 g/mol
Molecular Formula C25H30N2O5S
Exact Mass 470.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmMbyH1FSYJ
Name trans-3-Ethyl-1-(2-Hydroxyethyl)-2-(1-(phenylsulfonyl)-3-indolyl)-4-piperidone Ethylene Acetal
CAS Registry Number 132113-30-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O5S
InChI InChI=1S/C25H30N2O5S/c1-2-22-24(26(14-15-28)13-12-25(22)31-16-17-32-25)21-18-27(23-11-7-6-10-20(21)23)33(29,30)19-8-4-3-5-9-19/h3-11,18,22,24,28H,2,12-17H2,1H3/t22-,24-/m1/s1
InChIKey QHZUIGCISJVKSV-ISKFKSNPSA-N
Molecular Weight 470.584 g/mol
SMILES OCCN1[C@](c2c[n](S(=O)(=O)c3ccccc3)c3c2cccc3)([C@](C2(OCCO2)CC1)(CC)[H])[H]
SPLASH splash10-004i-9300000000-8f267468c069bbf614e2
Source of Spectrum J-56-6296-15
Synonyms 2-{(6R,7S)-6-ethyl-7-[1-(phenylsulfonyl)-1H-indol-3-yl]-1,4-dioxa-8-azaspiro[4.5]dec-8-yl}ethanol
Wiley ID 1392810