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Methyl 3-Benzyloxycarbonyl-7,8-diacetoxy-2-oxa-3,5-diazabicyclo[2.2.2]octane-5-carboxylate
SpectraBase Compound ID H0qs6taQ5Hu
InChI InChI=1S/C19H22N2O9/c1-11(22)28-15-14-9-20(18(24)26-3)17(16(15)29-12(2)23)21(30-14)19(25)27-10-13-7-5-4-6-8-13/h4-8,14-17H,9-10H2,1-3H3/t14-,15?,16?,17+/m0/s1
InChIKey HJSNVZZEOGTQAC-ZGRYLRDCSA-N
Mol Weight 422.39 g/mol
Molecular Formula C19H22N2O9
Exact Mass 422.13253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dlq2iZgkouB
Name Methyl 3-Benzyloxycarbonyl-7,8-diacetoxy-2-oxa-3,5-diazabicyclo[2.2.2]octane-5-carboxylate
Alternate Name(s) 3-Benzyl 5-methyl 7,8-bis(acetyloxy)-2-oxa-3,5-diazabicyclo[2.2.2]octane-3,5-dicarboxylate
CAS Registry Number 114217-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O9
InChI InChI=1S/C19H22N2O9/c1-11(22)28-15-14-9-20(18(24)26-3)17(16(15)29-12(2)23)21(30-14)19(25)27-10-13-7-5-4-6-8-13/h4-8,14-17H,9-10H2,1-3H3/t14-,15?,16?,17+/m0/s1
InChIKey HJSNVZZEOGTQAC-ZGRYLRDCSA-N
Molecular Weight 422.390 g/mol
SMILES [C@]12(N(O[C@@](CN2C(=O)OC)(C(OC(=O)C)C1OC(=O)C)[H])C(OCc1ccccc1)=O)[H]
SPLASH splash10-0006-9101000000-353d0432cc9867be962f
Source of Spectrum H-70-567-12
Wiley ID 1378477