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3-[2'-(Diethylamino)-1'-methyl-2'-phenylethyl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
SpectraBase Compound ID K5knOrHbNVI
InChI InChI=1S/C22H31NO3/c1-4-23(5-2)19(17-12-8-6-9-13-17)16(3)18-20(24)22(26-21(18)25)14-10-7-11-15-22/h6,8-9,12-13,16,19,24H,4-5,7,10-11,14-15H2,1-3H3
InChIKey PHJYYFIUKZZEGS-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28ex9MWgyni
Name 3-[2'-(Diethylamino)-1'-methyl-2'-phenylethyl]-4-hydroxy-1-oxaspiro[4.5]dec-3-en-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.230393859 u
Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-4-23(5-2)19(17-12-8-6-9-13-17)16(3)18-20(24)22(26-21(18)25)14-10-7-11-15-22/h6,8-9,12-13,16,19,24H,4-5,7,10-11,14-15H2,1-3H3
InChIKey PHJYYFIUKZZEGS-UHFFFAOYSA-N
Molecular Weight 357.494 g/mol
SMILES C=1(C(OC2(C1O)CCCCC2)=O)C(C(N(CC)CC)C=1C=CC=CC1)C