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1-(4-(2-methoxyethyl)phenoxy)-2-(trifluoroacetoxy)-3-(N-(trifluoroacetyl)-N-isopropylamino)propane
SpectraBase Compound ID IYlJEpn47KK
InChI InChI=1S/C19H23F6NO5/c1-12(2)26(16(27)18(20,21)22)10-15(31-17(28)19(23,24)25)11-30-14-6-4-13(5-7-14)8-9-29-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey XBLAGKJMNPXAPT-UHFFFAOYSA-N
Mol Weight 459.39 g/mol
Molecular Formula C19H23F6NO5
Exact Mass 459.148042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwWw880YFho
Name 1-(4-(2-methoxyethyl)phenoxy)-2-(trifluoroacetoxy)-3-(N-(trifluoroacetyl)-N-isopropylamino)propane
Alternate Name(s) N,O-bis(trifluoroacetyl)metoprolol 2-[isopropyl(trifluoroacetyl)amino]-1-{[4-(2-methoxyethyl)phenoxy]methyl}ethyl trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23F6NO5
InChI InChI=1S/C19H23F6NO5/c1-12(2)26(16(27)18(20,21)22)10-15(31-17(28)19(23,24)25)11-30-14-6-4-13(5-7-14)8-9-29-3/h4-7,12,15H,8-11H2,1-3H3
InChIKey XBLAGKJMNPXAPT-UHFFFAOYSA-N
Molecular Weight 459.385 g/mol
SMILES C(C(F)(F)F)(N(CC(OC(C(F)(F)F)=O)COc1ccc(cc1)CCOC)C(C)C)=O
SPLASH splash10-0aor-0798100000-98ebe020040f31c633ab
Source of Spectrum CJ-1992-0-0
Wiley ID 1390162