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(1S,2S,6S,7S)-4,4-dimethyl-2-phenacyl-3-oxa-5-azabicyclo[4.1.0]heptane-5,7-dicarboxylic acid O5-tert-butyl ester O7-methyl ester

View entire compound with spectra: 1 MS (GC)

(1S,2S,6S,7S)-4,4-dimethyl-2-phenacyl-3-oxa-5-azabicyclo[4.1.0]heptane-5,7-dicarboxylic acid O5-tert-butyl ester O7-methyl ester
SpectraBase Compound ID FPxeIjeWFsd
InChI InChI=1S/C22H29NO6/c1-21(2,3)29-20(26)23-18-16(17(18)19(25)27-6)15(28-22(23,4)5)12-14(24)13-10-8-7-9-11-13/h7-11,15-18H,12H2,1-6H3/t15-,16-,17-,18-/m0/s1
InChIKey UAFQQTSNTBJJPB-XSLAGTTESA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sf1ebOWLQ
Name (1S,2S,6S,7S)-4,4-dimethyl-2-phenacyl-3-oxa-5-azabicyclo[4.1.0]heptane-5,7-dicarboxylic acid O5-tert-butyl ester O7-methyl ester
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Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-21(2,3)29-20(26)23-18-16(17(18)19(25)27-6)15(28-22(23,4)5)12-14(24)13-10-8-7-9-11-13/h7-11,15-18H,12H2,1-6H3/t15-,16-,17-,18-/m0/s1
InChIKey UAFQQTSNTBJJPB-XSLAGTTESA-N
Molecular Weight 403.475 g/mol
SMILES [C@@]12(N(C(O[C@]([C@]1([C@@]2(C(=O)OC)[H])[H])(CC(=O)c1ccccc1)[H])(C)C)C(OC(C)(C)C)=O)[H]
SPLASH splash10-0a4i-7900000000-8dbbf274a80866cb0101
Source of Spectrum U1-2000-2964-16
Synonyms 5-O-tert-butyl 7-O-methyl (1S,2S,6S,7S)-4,4-dimethyl-2-phenacyl-3-oxa-5-azabicyclo[4.1.0]heptane-5,7-dicarboxylate O5-tert-butyl O7-methyl (1S,2S,6S,7S)-4,4-dimethyl-2-phenacyl-3-oxa-5-azabicyclo[4.1.0]heptane-5,7-dicarboxylate
Wiley ID 754014