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(2S)-3-Methyl-2-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrroe-1-carboxylic acid benzyl ester

View entire compound with spectra: 1 MS (GC)

(2S)-3-Methyl-2-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrroe-1-carboxylic acid benzyl ester
SpectraBase Compound ID CGt5o4eBeVv
InChI InChI=1S/C19H21NO6/c1-13-8-15(21)20(17(22)23-9-14-6-4-3-5-7-14)16(13)19-24-10-18(2,11-25-19)12-26-19/h3-8,16H,9-12H2,1-2H3/t16-,18?,19?/m0/s1
InChIKey QDJXVEZRJFZDEG-IVMQYODDSA-N
Mol Weight 359.38 g/mol
Molecular Formula C19H21NO6
Exact Mass 359.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VMgq33PZYT
Name (2S)-3-Methyl-2-(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrroe-1-carboxylic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO6
InChI InChI=1S/C19H21NO6/c1-13-8-15(21)20(17(22)23-9-14-6-4-3-5-7-14)16(13)19-24-10-18(2,11-25-19)12-26-19/h3-8,16H,9-12H2,1-2H3/t16-,18?,19?/m0/s1
InChIKey QDJXVEZRJFZDEG-IVMQYODDSA-N
Molecular Weight 359.378 g/mol
SMILES C1(N([C@@](C(=C1)C)(C12OCC(CO2)(C)CO1)[H])C(OCc1ccccc1)=O)=O
SPLASH splash10-000f-9121000000-187e3b0e458e9490d9bf
Source of Spectrum F-59-228-11a
Wiley ID 1676664