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dimethyl(1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-3-methyl-3-phenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate

View entire compound with spectra: 1 MS (GC)

dimethyl(1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-3-methyl-3-phenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate
SpectraBase Compound ID 7Y3iUp2WcPv
InChI InChI=1S/C16H18N2O4/c1-16(9-7-5-4-6-8-9)10-11(16)13-12(10)17(14(19)21-2)18(13)15(20)22-3/h4-8,10-13H,1-3H3/t10-,11+,12+,13-,16+
InChIKey KVFJXLCKQXWUND-VUHGXIDGSA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LyVua0DvMz
Name dimethyl(1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-3-methyl-3-phenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate
CAS Registry Number 105252-64-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-16(9-7-5-4-6-8-9)10-11(16)13-12(10)17(14(19)21-2)18(13)15(20)22-3/h4-8,10-13H,1-3H3/t10-,11+,12+,13-,16+
InChIKey KVFJXLCKQXWUND-VUHGXIDGSA-N
Molecular Weight 302.330 g/mol
SMILES C(N1N([C@@]2([C@@]3([C@@]([C@]12[H])([H])[C@]3(c1ccccc1)C)[H])[H])C(=O)OC)(=O)OC
SPLASH splash10-0udl-0049000000-ef955d1752196454f469
Source of Spectrum K-120-207-11
Synonyms dimethyl (1R,2R,4S,5S)-3-methyl-3-phenyl-6,7-diazatricyclo[3.2.0.0(2,4)]heptane-6,7-dicarboxylate
Wiley ID 1304561