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3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID 5S1ctPWbPcz
InChI InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9?,10?/m1/s1
InChIKey ZPMJBHUNSHDFPT-XHHQTKHESA-N
Mol Weight 253.3 g/mol
Molecular Formula C13H19NO4
Exact Mass 253.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BmsOQNLxNqM
Name 3-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
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Formula C13H19NO4
InChI InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-10-8-5-4-7(6-8)9(10)11(15)16/h4-5,7-10H,6H2,1-3H3,(H,14,17)(H,15,16)/t7-,8+,9?,10?/m1/s1
InChIKey ZPMJBHUNSHDFPT-XHHQTKHESA-N
Molecular Weight 253.298 g/mol
SMILES N(C(OC(C)(C)C)=O)C1C(C(=O)O)[C@]2(C[C@@]1(C=C2)[H])[H]
SPLASH splash10-001r-0900000000-69c0a5d5c5f724896d4b
Source of Spectrum F-49-1989-4
Synonyms 3-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-bicyclo[2.2.1]hept-5-enecarboxylic acid
Wiley ID 1256738