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3-(1-adamantylcarbonylamino)-3-(3-nitrophenyl)propanoic acid
SpectraBase Compound ID 1qtmrzqCdZX
InChI InChI=1S/C20H24N2O5/c23-18(24)8-17(15-2-1-3-16(7-15)22(26)27)21-19(25)20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17H,4-6,8-11H2,(H,21,25)(H,23,24)
InChIKey VHBCZRHHJMJHSR-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C20H24N2O5
Exact Mass 372.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17knUUpAcvH
Name 3-(1-adamantylcarbonylamino)-3-(3-nitrophenyl)propanoic acid
Alternate Name(s) 3-(adamantane-1-carbonylamino)-3-(3-nitrophenyl)propanoic acid 3-[[1-adamantyl(oxo)methyl]amino]-3-(3-nitrophenyl)propanoic acid
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Formula C20H24N2O5
InChI InChI=1S/C20H24N2O5/c23-18(24)8-17(15-2-1-3-16(7-15)22(26)27)21-19(25)20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17H,4-6,8-11H2,(H,21,25)(H,23,24)
InChIKey VHBCZRHHJMJHSR-UHFFFAOYSA-N
Molecular Weight 372.421 g/mol
SMILES N(C(C12CC3CC(C2)CC(C1)C3)=O)C(CC(=O)O)c1cc(N(=O)=O)ccc1
SPLASH splash10-000l-7900000000-9549a2171a4c82d52523
Wiley ID 1443691