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Propanoic acid, 2-methyl-, 4-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1,2-phenylene ester
SpectraBase Compound ID Lhg65Te6FQD
InChI InChI=1S/C20H29NO5/c1-12(2)18(22)21-10-9-15-7-8-16(25-19(23)13(3)4)17(11-15)26-20(24)14(5)6/h7-8,11-14H,9-10H2,1-6H3,(H,21,22)
InChIKey ZOGGNRJWJZQINY-UHFFFAOYSA-N
Mol Weight 363.45 g/mol
Molecular Formula C20H29NO5
Exact Mass 363.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzYYkLRw6qI
Name Propanoic acid, 2-methyl-, 4-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1,2-phenylene ester
Alternate Name(s) 4-[2-(isobutyrylamino)ethyl]-2-(isobutyryloxy)phenyl 2-methylpropanoate Noo-tri-isobutyryldopamine
CAS Registry Number 41777-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO5
InChI InChI=1S/C20H29NO5/c1-12(2)18(22)21-10-9-15-7-8-16(25-19(23)13(3)4)17(11-15)26-20(24)14(5)6/h7-8,11-14H,9-10H2,1-6H3,(H,21,22)
InChIKey ZOGGNRJWJZQINY-UHFFFAOYSA-N
Molecular Weight 363.454 g/mol
SMILES N(C(=O)C(C)C)CCc1cc(OC(=O)C(C)C)c(OC(=O)C(C)C)cc1
SPLASH splash10-052r-0960000000-735a7c60ee1fd732f563
Source of Spectrum KC-1976-1062-0
Wiley ID 1350253