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1,4-Dioxa-8-azaspiro[4.5]decane, 1H-indole deriv.
SpectraBase Compound ID D9Emu7I1MgX
InChI InChI=1S/C25H30N2O5S/c1-2-20-18-26(12-13-28)24(17-25(20)31-14-15-32-25)23-16-19-8-6-7-11-22(19)27(23)33(29,30)21-9-4-3-5-10-21/h3-11,16,20,24,28H,2,12-15,17-18H2,1H3/t20-,24-/m1/s1
InChIKey AHGAQBVUKXTEIR-HYBUGGRVSA-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 D5c962efGT6
Name 1,4-Dioxa-8-azaspiro[4.5]decane, 1H-indole deriv.
Alternate Name(s) 1H-Indole, 2-[10-ethyl-8-(2-hydroxyethyl)-1,4-dioxa-8-azaspiro[4.5]dec-7-yl]-1-(phenylsulfonyl)-, trans- 2-{(6R,9R)-6-ethyl-9-[1-(phenylsulfonyl)-1H-indol-2-yl]-1,4-dioxa-8-azaspiro[4.5]dec-8-yl}ethanol trans-5-ethyl-2-[1-(phenylsulfonyl)-2-indolyl]-1-(2-hydroxyethyl)-4-piperidone ethylene acetal
CAS Registry Number 123169-46-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O5S
InChI InChI=1S/C25H30N2O5S/c1-2-20-18-26(12-13-28)24(17-25(20)31-14-15-32-25)23-16-19-8-6-7-11-22(19)27(23)33(29,30)21-9-4-3-5-10-21/h3-11,16,20,24,28H,2,12-15,17-18H2,1H3/t20-,24-/m1/s1
InChIKey AHGAQBVUKXTEIR-HYBUGGRVSA-N
Molecular Weight 470.584 g/mol
SMILES OCCN1[C@@](c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)(CC2(OCCO2)[C@@](C1)(CC)[H])[H]
SPLASH splash10-056r-7900000000-11bdce9f2ef5926be0e1
Source of Spectrum J-54-5595-6
Wiley ID 1392809