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(2S)-Amino-(3R)-(3'-phenylbutyl)pentanedioic acid
SpectraBase Compound ID BzmpMAd6ZRe
InChI InChI=1S/C15H21NO4/c16-14(15(19)20)12(10-13(17)18)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10,16H2,(H,17,18)(H,19,20)/t12-,14+/m1/s1
InChIKey ZIZCFPMONZJFNV-OCCSQVGLSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5W1WkLRaFf
Name (2S)-Amino-(3R)-(3'-phenylbutyl)pentanedioic acid
Alternate Name(s) (2S)-Amino-(3R)-(4'-phenylbutyl)pentanedioic acid (2S,3R)-2-amino-3-(3-phenylbutyl)pentanedioic acid
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Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c16-14(15(19)20)12(10-13(17)18)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14H,4-5,8-10,16H2,(H,17,18)(H,19,20)/t12-,14+/m1/s1
InChIKey ZIZCFPMONZJFNV-OCCSQVGLSA-N
Molecular Weight 279.336 g/mol
SMILES OC(C[C@]([C@@](C(=O)O)(N)[H])(CCCCc1ccccc1)[H])=O
SPLASH splash10-0002-5940000000-1bbb0ab674c163ac323b
Source of Spectrum QA-47-100-0
Wiley ID 863290