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N-Carbobenzoxy-(2S,3Rs)-3-methylaspartic acid

View entire compound with spectra: 1 MS (GC)

N-Carbobenzoxy-(2S,3Rs)-3-methylaspartic acid
SpectraBase Compound ID 5EVz6sfIH9G
InChI InChI=1S/C13H15NO6/c1-8(11(15)16)10(12(17)18)14-13(19)20-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t8?,10-/m0/s1
InChIKey BVLQSKYXABJJAC-HTLJXXAVSA-N
Mol Weight 281.26 g/mol
Molecular Formula C13H15NO6
Exact Mass 281.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GPGn7ScJw3
Name N-Carbobenzoxy-(2S,3Rs)-3-methylaspartic acid
Alternate Name(s) (2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanedioic acid (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanedioic acid (3S)-2-methyl-3-(phenylmethoxycarbonylamino)butanedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO6
InChI InChI=1S/C13H15NO6/c1-8(11(15)16)10(12(17)18)14-13(19)20-7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t8?,10-/m0/s1
InChIKey BVLQSKYXABJJAC-HTLJXXAVSA-N
Molecular Weight 281.264 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(=O)O)(C(C(=O)O)C)[H]
SPLASH splash10-052f-9600000000-274a05878298405f1886
Source of Spectrum QC-4-1149-0
Wiley ID 883238