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1,4-Dioxa-8-azaspiro[4.5]decane, 1H-indole deriv.
SpectraBase Compound ID CySCEjXOH2a
InChI InChI=1S/C25H30N2O5S/c1-2-21-24(26(14-15-28)13-12-25(21)31-16-17-32-25)23-18-19-8-6-7-11-22(19)27(23)33(29,30)20-9-4-3-5-10-20/h3-11,18,21,24,28H,2,12-17H2,1H3/t21-,24-/m1/s1
InChIKey IKTMPYMMDYBTOM-ZJSXRUAMSA-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 GoJbT1OiPye
Name 1,4-Dioxa-8-azaspiro[4.5]decane, 1H-indole deriv.
Alternate Name(s) 1H-Indole, 2-[6-ethyl-8-(2-hydroxyethyl)-1,4-dioxa-8-azaspiro[4.5]dec-7-yl]-1-(phenylsulfonyl)-, cis-(.+-.)- 2-{(6R,7R)-6-ethyl-7-[1-(phenylsulfonyl)-1H-indol-2-yl]-1,4-dioxa-8-azaspiro[4.5]dec-8-yl}ethanol cis-3-ethyl-1-(2-hydroxyethyl)-2-[1-(phenylsulfonyl)-2-indolyl]-4-piperidone ethylene aacetal
CAS Registry Number 130214-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O5S
InChI InChI=1S/C25H30N2O5S/c1-2-21-24(26(14-15-28)13-12-25(21)31-16-17-32-25)23-18-19-8-6-7-11-22(19)27(23)33(29,30)20-9-4-3-5-10-20/h3-11,18,21,24,28H,2,12-17H2,1H3/t21-,24-/m1/s1
InChIKey IKTMPYMMDYBTOM-ZJSXRUAMSA-N
Molecular Weight 470.584 g/mol
SMILES OCCN1[C@@](c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)([C@](C2(OCCO2)CC1)(CC)[H])[H]
SPLASH splash10-004i-9701100000-919e54e2957210611daf
Source of Spectrum F-46-4453-16
Wiley ID 1392808