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1-(2-Hydroxy-2-phenylethyl)-2-[1-(phenylsulfonyl)-3-indolyl]-4-methylenepiperidine
SpectraBase Compound ID 2G5HKDXfTHF
InChI InChI=1S/C28H28N2O3S/c1-21-16-17-29(20-28(31)22-10-4-2-5-11-22)27(18-21)25-19-30(26-15-9-8-14-24(25)26)34(32,33)23-12-6-3-7-13-23/h2-15,19,27-28,31H,1,16-18,20H2
InChIKey QBYNIDMZALUPTL-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H28N2O3S
Exact Mass 472.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5W0TdkSQB6
Name 1-(2-Hydroxy-2-phenylethyl)-2-[1-(phenylsulfonyl)-3-indolyl]-4-methylenepiperidine
Alternate Name(s) 1-(2-Hydroxy-2-phenylethyl)-2-[1-(phenylsulfonyl)-3-indolyl]-4-methylenepiperidine isomer 2-{4-methylene-2-[1-(phenylsulfonyl)-1H-indol-3-yl]-1-piperidinyl}-1-phenylethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28N2O3S
InChI InChI=1S/C28H28N2O3S/c1-21-16-17-29(20-28(31)22-10-4-2-5-11-22)27(18-21)25-19-30(26-15-9-8-14-24(25)26)34(32,33)23-12-6-3-7-13-23/h2-15,19,27-28,31H,1,16-18,20H2
InChIKey QBYNIDMZALUPTL-UHFFFAOYSA-N
Molecular Weight 472.603 g/mol
SMILES OC(CN1C(c2c[n](S(=O)(=O)c3ccccc3)c3c2cccc3)CC(=C)CC1)c1ccccc1
SPLASH splash10-004l-9733000000-3dc005e0c831c599d8f6
Source of Spectrum F-51-7540-10
Wiley ID 792477