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(1S,4R,5S,7R)-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester
SpectraBase Compound ID HBlOQcfeKRE
InChI InChI=1S/C21H23NO4/c1-24-20(23)19-18-14-22(13-16-10-6-3-7-11-16)17(21(25-18)26-19)12-15-8-4-2-5-9-15/h2-11,17-19,21H,12-14H2,1H3/t17-,18+,19-,21+/m1/s1
InChIKey PJWIYZAKAZVSNG-HDAAZOAOSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yLFfY75pAL
Name (1S,4R,5S,7R)-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester
Alternate Name(s) (1S,4R,5S,7R)-3,4-dibenzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid methyl ester methyl (1S,4R,5S,7R)-3,4-bis(phenylmethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate methyl (1S,4R,5S,7R)-3,4-dibenzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-24-20(23)19-18-14-22(13-16-10-6-3-7-11-16)17(21(25-18)26-19)12-15-8-4-2-5-9-15/h2-11,17-19,21H,12-14H2,1H3/t17-,18+,19-,21+/m1/s1
InChIKey PJWIYZAKAZVSNG-HDAAZOAOSA-N
Molecular Weight 353.418 g/mol
SMILES [C@]12(CN([C@@]([C@](O[C@]2(C(=O)OC)[H])(O1)[H])(Cc1ccccc1)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-1a6b899ca217720f2ab2
Source of Spectrum J-64-7360-18
Wiley ID 1531111