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3-{[5-ethyl-5-(hydroxycarbonyl)methyl]piperidin-2-yl}indole
SpectraBase Compound ID GC33Wirhr2j
InChI InChI=1S/C17H22N2O2/c1-2-17(9-16(20)21)8-7-15(19-11-17)13-10-18-14-6-4-3-5-12(13)14/h3-6,10,15,18-19H,2,7-9,11H2,1H3,(H,20,21)
InChIKey NSTASBNZDIHGFL-UHFFFAOYSA-N
Mol Weight 286.37 g/mol
Molecular Formula C17H22N2O2
Exact Mass 286.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JFkegO9Fxi
Name 3-{[5-ethyl-5-(hydroxycarbonyl)methyl]piperidin-2-yl}indole
Alternate Name(s) [3-ethyl-6-(1H-indol-3-yl)-3-piperidinyl]acetic acid
CAS Registry Number 114059-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O2
InChI InChI=1S/C17H22N2O2/c1-2-17(9-16(20)21)8-7-15(19-11-17)13-10-18-14-6-4-3-5-12(13)14/h3-6,10,15,18-19H,2,7-9,11H2,1H3,(H,20,21)
InChIKey NSTASBNZDIHGFL-UHFFFAOYSA-N
Molecular Weight 286.375 g/mol
SMILES [nH]1c2c(c(C3CCC(CC(=O)O)(CC)CN3)c1)cccc2
SPLASH splash10-0006-0900000000-88724b8e4faf88bdf011
Source of Spectrum J-53-1956-15
Wiley ID 1290068