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1-[2-(1-besyl-2-methylol-indol-3-yl)ethyl]piperidine-2,3-quinone
SpectraBase Compound ID 3E6Gj8JqnoC
InChI InChI=1S/C22H22N2O5S/c25-15-20-18(12-14-23-13-6-11-21(26)22(23)27)17-9-4-5-10-19(17)24(20)30(28,29)16-7-2-1-3-8-16/h1-5,7-10,25H,6,11-15H2
InChIKey BUUXRPRXQQKONI-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C22H22N2O5S
Exact Mass 426.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4unQdz1Nv7Q
Name 1-[2-(1-besyl-2-methylol-indol-3-yl)ethyl]piperidine-2,3-quinone
CAS Registry Number 108913-78-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O5S
InChI InChI=1S/C22H22N2O5S/c25-15-20-18(12-14-23-13-6-11-21(26)22(23)27)17-9-4-5-10-19(17)24(20)30(28,29)16-7-2-1-3-8-16/h1-5,7-10,25H,6,11-15H2
InChIKey BUUXRPRXQQKONI-UHFFFAOYSA-N
Molecular Weight 426.487 g/mol
SMILES OCc1[n](S(=O)(=O)c2ccccc2)c2c(cccc2)c1CCN1C(C(=O)CCC1)=O
SPLASH splash10-00bc-4920000000-d77391d490179a8b720b
Source of Spectrum F-42-1508-20
Synonyms 1-[2-[1-(benzenesulfonyl)-2-(hydroxymethyl)-3-indolyl]ethyl]piperidine-2,3-dione 1-[2-[1-(benzenesulfonyl)-2-(hydroxymethyl)indol-3-yl]ethyl]piperidine-2,3-dione 1-[2-[2-(hydroxymethyl)-1-(phenylsulfonyl)indol-3-yl]ethyl]piperidine-2,3-dione
Wiley ID 1379864