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(2S,4'R)-N-Camphanoylalanine
SpectraBase Compound ID 51SWR5ngZqv
InChI InChI=1S/C13H19NO5/c1-7(8(15)16)14-9(17)13-6-5-12(4,10(18)19-13)11(13,2)3/h7H,5-6H2,1-4H3,(H,14,17)(H,15,16)/t7-,12+,13-/m0/s1
InChIKey SIMQVNKNMCJEQO-YLJLNXRRSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wuhBayRjc0
Name (2S,4'R)-N-Camphanoylalanine
Alternate Name(s) (2S)-2-({[(4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)propanoic acid (2S,1'S,4'R)-N-Camphanoylalanine
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Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-7(8(15)16)14-9(17)13-6-5-12(4,10(18)19-13)11(13,2)3/h7H,5-6H2,1-4H3,(H,14,17)(H,15,16)/t7-,12+,13-/m0/s1
InChIKey SIMQVNKNMCJEQO-YLJLNXRRSA-N
Molecular Weight 269.297 g/mol
SMILES N(C([C@@]12OC(=O)[C@@](C2(C)C)(C)CC1)=O)[C@](C(=O)O)(C)[H]
SPLASH splash10-0089-7090000000-a0c345641a895d0585eb
Source of Spectrum KC-0-2929-2
Wiley ID 780228