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(2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrrole-1-carboxylic acid benzyl ester
SpectraBase Compound ID AMbknXHdqeR
InChI InChI=1S/C18H19NO6/c1-17-10-23-18(24-11-17,25-12-17)14-7-8-15(20)19(14)16(21)22-9-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,17?,18?/m0/s1
InChIKey RZMAOTJYKGBJOS-NNGSBXSVSA-N
Mol Weight 345.35 g/mol
Molecular Formula C18H19NO6
Exact Mass 345.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1l9xaIi1BaU
Name (2S)-2-(4-Methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)-5-oxo-2,5-dihydropyrrole-1-carboxylic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO6
InChI InChI=1S/C18H19NO6/c1-17-10-23-18(24-11-17,25-12-17)14-7-8-15(20)19(14)16(21)22-9-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,17?,18?/m0/s1
InChIKey RZMAOTJYKGBJOS-NNGSBXSVSA-N
Molecular Weight 345.351 g/mol
SMILES [C@]1(N(C(C=C1)=O)C(OCc1ccccc1)=O)(C12OCC(CO2)(C)CO1)[H]
SPLASH splash10-000f-9131000000-6d4a6fc4ff492d8d4164
Source of Spectrum F-59-221-9
Synonyms (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxo-2H-pyrrole-1-carboxylic acid (phenylmethyl) ester benzyl (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxo-2H-pyrrole-1-carboxylate (phenylmethyl) (2S)-2-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-5-oxidanylidene-2H-pyrrole-1-carboxylate
Wiley ID 1676687