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(1R,4R,5S,7R)-2-oxo-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester
SpectraBase Compound ID Lty6YKEeili
InChI InChI=1S/C21H21NO5/c1-25-20(24)18-17-19(23)22(13-15-10-6-3-7-11-15)16(21(26-17)27-18)12-14-8-4-2-5-9-14/h2-11,16-18,21H,12-13H2,1H3/t16-,17-,18-,21+/m1/s1
InChIKey MGMKRVMJTGDKEI-IKVWTGGYSA-N
Mol Weight 367.4 g/mol
Molecular Formula C21H21NO5
Exact Mass 367.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fg28s5ZZqMa
Name (1R,4R,5S,7R)-2-oxo-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO5
InChI InChI=1S/C21H21NO5/c1-25-20(24)18-17-19(23)22(13-15-10-6-3-7-11-15)16(21(26-17)27-18)12-14-8-4-2-5-9-14/h2-11,16-18,21H,12-13H2,1H3/t16-,17-,18-,21+/m1/s1
InChIKey MGMKRVMJTGDKEI-IKVWTGGYSA-N
Molecular Weight 367.401 g/mol
SMILES [C@]12(C(N([C@@]([C@](O[C@]2(C(=O)OC)[H])(O1)[H])(Cc1ccccc1)[H])Cc1ccccc1)=O)[H]
SPLASH splash10-0006-9001000000-b2c619b0e4b1668a8641
Source of Spectrum J-64-7358-5
Synonyms (1R,4R,5S,7R)-3,4-dibenzyl-2-keto-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester methyl (1R,4R,5S,7R)-2-oxidanylidene-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate methyl (1R,4R,5S,7R)-3,4-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
Wiley ID 1531121