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(R,S)-Boc-ortho-cyano-Phe

View entire compound with spectra: 1 MS (GC)

(R,S)-Boc-ortho-cyano-Phe
SpectraBase Compound ID G6xDCeJ0Rzo
InChI InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKey AJHPGXZOIAYYDW-GFCCVEGCSA-N
Mol Weight 290.32 g/mol
Molecular Formula C15H18N2O4
Exact Mass 290.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B17BuJ7ZudK
Name (R,S)-Boc-ortho-cyano-Phe
Alternate Name(s) (2R)-3-(2-cyanophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (2R)-2-(tert-butoxycarbonylamino)-3-(2-cyanophenyl)propanoic acid (2R)-3-(2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O4
InChI InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)17-12(13(18)19)8-10-6-4-5-7-11(10)9-16/h4-7,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKey AJHPGXZOIAYYDW-GFCCVEGCSA-N
Molecular Weight 290.319 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](C(=O)O)(Cc1c(C#N)cccc1)[H]
SPLASH splash10-014k-0960000000-ecaf5ca31780289c51db
Source of Spectrum F-59-4426-7
Wiley ID 1678323