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(1'S,2S,2'R,5'S)-2-[(Ethoxycarbonyl)amino]-3-methylbutanoic acid 5-methylbicyclo[3.2.0]hept-2-yl ester
SpectraBase Compound ID 2xkpa12CkiF
InChI InChI=1S/C16H27NO4/c1-5-20-15(19)17-13(10(2)3)14(18)21-12-7-9-16(4)8-6-11(12)16/h10-13H,5-9H2,1-4H3,(H,17,19)/t11-,12-,13+,16+/m1/s1
InChIKey HCZQFRKSLBRLEE-FOCJUVANSA-N
Mol Weight 297.39 g/mol
Molecular Formula C16H27NO4
Exact Mass 297.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gr8kTlN14N
Name (1'S,2S,2'R,5'S)-2-[(Ethoxycarbonyl)amino]-3-methylbutanoic acid 5-methylbicyclo[3.2.0]hept-2-yl ester
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Formula C16H27NO4
InChI InChI=1S/C16H27NO4/c1-5-20-15(19)17-13(10(2)3)14(18)21-12-7-9-16(4)8-6-11(12)16/h10-13H,5-9H2,1-4H3,(H,17,19)/t11-,12-,13+,16+/m1/s1
InChIKey HCZQFRKSLBRLEE-FOCJUVANSA-N
Molecular Weight 297.395 g/mol
SMILES N(C(=O)OCC)[C@](C(O[C@]1([C@@]2([C@](C)(CC1)CC2)[H])[H])=O)(C(C)C)[H]
SPLASH splash10-052f-6900000000-f0f8322ffe90f3bf6de8
Source of Spectrum J-60-7265-32
Synonyms (1S,2R,5S)-5-methylbicyclo[3.2.0]hept-2-yl (2S)-2-[(ethoxycarbonyl)amino]-3-methylbutanoate (2S)-2-(carbethoxyamino)-3-methyl-butyric acid[(1S,2R,5S)-5-methyl-2-bicyclo[3.2.0]heptanyl]ester (2S)-2-(ethoxycarbonylamino)-3-methylbutanoic acid[(1S,2R,5S)-5-methyl-2-bicyclo[3.2.0]heptanyl]ester [(1S,2R,5S)-5-methyl-2-bicyclo[3.2.0]heptanyl](2S)-2-(ethoxycarbonylamino)-3-methyl-butanoate (2S)-2-(ethoxycarbonylamino)-3-methylbutanoic acid [(1S,2R,5S)-5-methyl-2-bicyclo[3.2.0]heptanyl] ester [(1S,2R,5S)-5-methyl-2-bicyclo[3.2.0]heptanyl] (2S)-2-(ethoxycarbonylamino)-3-methylbutanoate [(1S,2R,5S)-5-methyl-2-bicyclo[3.2.0]heptanyl] (2S)-2-(ethoxycarbonylamino)-3-methyl-butanoate
Wiley ID 1300108