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(1R,4R,5S,7S)-2-oxo-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester
SpectraBase Compound ID CBDzuMpmABS
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-WIRSXHRWSA-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 3meyyQsaDzU
Name (1R,4R,5S,7S)-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-WIRSXHRWSA-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 splash10-0006-9000000000-f52b3f4a474ab7d15c08
Source of Spectrum J-64-7360-11
Synonyms (1R,4R,5S,7S)-3,4-dibenzyl-2-keto-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester methyl (1R,4R,5S,7S)-2-oxidanylidene-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate methyl (1R,4R,5S,7S)-3,4-dibenzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
Wiley ID 1531117