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(5S,6S)-3-benzyl-6-methyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylic acid methyl ester
SpectraBase Compound ID 1fXp69N19Bw
InChI InChI=1S/C20H22N2O5/c1-14-18(20(23)26-2)13-21(12-15-6-4-3-5-7-15)19(27-14)16-8-10-17(11-9-16)22(24)25/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18-,19?/m0/s1
InChIKey IKPCKYWNPUFVGS-ZWSMLAFMSA-N
Mol Weight 370.41 g/mol
Molecular Formula C20H22N2O5
Exact Mass 370.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwGajRuWrzs
Name (5S,6S)-3-benzyl-6-methyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H22N2O5
InChI InChI=1S/C20H22N2O5/c1-14-18(20(23)26-2)13-21(12-15-6-4-3-5-7-15)19(27-14)16-8-10-17(11-9-16)22(24)25/h3-11,14,18-19H,12-13H2,1-2H3/t14-,18-,19?/m0/s1
InChIKey IKPCKYWNPUFVGS-ZWSMLAFMSA-N
Molecular Weight 370.405 g/mol
SMILES C1(N(C[C@@]([C@@](O1)(C)[H])(C(=O)OC)[H])Cc1ccccc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-0006-9000000000-9593d5105aaab0ce92c2
Source of Spectrum J-60-6521-20
Synonyms (5S,6S)-6-methyl-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-oxazinane-5-carboxylic acid methyl ester methyl (5S,6S)-3-benzyl-6-methyl-2-(4-nitrophenyl)-1,3-oxazinane-5-carboxylate methyl (5S,6S)-6-methyl-2-(4-nitrophenyl)-3-(phenylmethyl)-1,3-oxazinane-5-carboxylate
Wiley ID 1354250