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(1'R,2S,2'S,5'R)-2-[(Ethoxycarbonyl)amino]-3-phenylpropionic acid 5-methylbicyclo[3.2.0]hept-2-yl ester
SpectraBase Compound ID JzTcEfvbx0D
InChI InChI=1S/C20H27NO4/c1-3-24-19(23)21-16(13-14-7-5-4-6-8-14)18(22)25-17-10-12-20(2)11-9-15(17)20/h4-8,15-17H,3,9-13H2,1-2H3,(H,21,23)/t15-,16-,17-,20+/m0/s1
InChIKey NFHWGNSONCJXND-OGNFBWPZSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4I0r5Lo4L9U
Name (1'R,2S,2'S,5'R)-2-[(Ethoxycarbonyl)amino]-3-phenylpropionic acid 5-methylbicyclo[3.2.0]hept-2-yl ester
Alternate Name(s) (1R,2S,5R)-5-methylbicyclo[3.2.0]hept-2-yl (2S)-2-[(ethoxycarbonyl)amino]-3-phenylpropanoate (2S)-2-(carbethoxyamino)-3-phenyl-propionic acid[(1R,2S,5R)-5-methyl-2-bicyclo[3.2.0]heptanyl]ester (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoic acid[(1R,2S,5R)-5-methyl-2-bicyclo[3.2.0]heptanyl]ester [(1R,2S,5R)-5-methyl-2-bicyclo[3.2.0]heptanyl](2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoic acid [(1R,2S,5R)-5-methyl-2-bicyclo[3.2.0]heptanyl] ester [(1R,2S,5R)-5-methyl-2-bicyclo[3.2.0]heptanyl] (2S)-2-(ethoxycarbonylamino)-3-phenylpropanoate [(1R,2S,5R)-5-methyl-2-bicyclo[3.2.0]heptanyl] (2S)-2-(ethoxycarbonylamino)-3-phenyl-propanoate
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Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-3-24-19(23)21-16(13-14-7-5-4-6-8-14)18(22)25-17-10-12-20(2)11-9-15(17)20/h4-8,15-17H,3,9-13H2,1-2H3,(H,21,23)/t15-,16-,17-,20+/m0/s1
InChIKey NFHWGNSONCJXND-OGNFBWPZSA-N
Molecular Weight 345.439 g/mol
SMILES N(C(=O)OCC)[C@](C(O[C@@]1([C@]2([C@@](C)(CC1)CC2)[H])[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-052f-6930000000-81ed9f574d83060a98e8
Source of Spectrum J-60-7265-32
Wiley ID 1338729