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3-[3-(4,5-methylenedioxyphenyl)-N-propyl-N-ethylamino]-6-hydroxy-5,5-dimethylcyclohex-2-en-1-one
SpectraBase Compound ID DLKUHsSmWvs
InChI InChI=1S/C20H27NO4/c1-4-21(15-11-16(22)19(23)20(2,3)12-15)9-5-6-14-7-8-17-18(10-14)25-13-24-17/h7-8,10-11,19,23H,4-6,9,12-13H2,1-3H3
InChIKey CXXXEOHMIACITO-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4XHX5Wvlj6
Name 3-[3-(4,5-methylenedioxyphenyl)-N-propyl-N-ethylamino]-6-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CAS Registry Number 71382-89-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-4-21(15-11-16(22)19(23)20(2,3)12-15)9-5-6-14-7-8-17-18(10-14)25-13-24-17/h7-8,10-11,19,23H,4-6,9,12-13H2,1-3H3
InChIKey CXXXEOHMIACITO-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
SMILES OC1C(C)(C)CC(=CC1=O)N(CCCc1cc2OCOc2cc1)CC
SPLASH splash10-02dj-1903000000-736c832f895a82e26d05
Source of Spectrum J-44-3986-0
Synonyms 3-[3-(4,5-methylenedioxyphenyl)-N-ethylamino]-6-hydroxy-5,5-dimethylcyclohex-2-en-1-one 3-[[3-(1,3-benzodioxol-5-yl)propyl](ethyl)amino]-6-hydroxy-5,5-dimethyl-2-cyclohexen-1-one
Wiley ID 1338719