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Trimebutine breakdown (212)
SpectraBase Compound ID 2DpPmXHeWB1
InChI InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
InChIKey LORDFXWUHHSAQU-UHFFFAOYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C22H29NO5
Exact Mass 387.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXYeUg6emK9
Name 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate
Alternate Name(s) (.+/-.)-2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate .beta.-(Dimethylamino)-.beta.-ethylphenethyl alcohol 3,4,5-trimethoxybenzoate (ester) 2-Dimethylamino-2-phenylbutyl 3,4,5-trimethoxybenzoat Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester Benzoic acid, 3,4,5-trimethoxy-, 2-(dimethylamino)-2-phenylbutyl ester, (.+/-.)- Trimebutine Trimebutino Trimebutinum 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester [2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate [2-(dimethylamino)-2-phenyl-butyl] 3,4,5-trimethoxybenzoate EINECS 254-309-2
CAS Registry Number 39133-31-8
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Formula C22H29NO5
InChI InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3
InChIKey LORDFXWUHHSAQU-UHFFFAOYSA-N
Molecular Weight 387.476 g/mol
SMILES c1(c(c(cc(C(OCC(CC)(N(C)C)c2ccccc2)=O)c1)OC)OC)OC
SPLASH splash10-03di-4970000000-05a52953a873c54ef28a
Wiley ID 1507958