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L-Phenylalanine, 4-carboxy-N-[(1,1-dimethylethoxy)carbonyl]-, .alpha.-methyl ester
SpectraBase Compound ID 1R71b1ONS4Q
InChI InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(20)22-4)9-10-5-7-11(8-6-10)13(18)19/h5-8,12H,9H2,1-4H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKey NHIHVKYCORPWEL-LBPRGKRZSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ayuoeSfisK
Name L-Phenylalanine, 4-carboxy-N-[(1,1-dimethylethoxy)carbonyl]-, .alpha.-methyl ester
CAS Registry Number 123993-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(20)22-4)9-10-5-7-11(8-6-10)13(18)19/h5-8,12H,9H2,1-4H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKey NHIHVKYCORPWEL-LBPRGKRZSA-N
Molecular Weight 323.345 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@](Cc1ccc(C(=O)O)cc1)(C(=O)OC)[H]
SPLASH splash10-000i-9210000000-986ef25e232ef5dacde8
Source of Spectrum J-55-909-10
Synonyms 4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}benzoic acid 4-[(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]benzoic acid 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]benzoic acid 4-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]benzoic acid 4-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]benzoic acid
Wiley ID 1322369