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5-(t-Butoxycarbonyl)amino-2-(4'-fluorobenzyl)pent-3-enoic acid
SpectraBase Compound ID LursyXAa1E3
InChI InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-10-4-5-13(15(20)21)11-12-6-8-14(18)9-7-12/h4-9,13H,10-11H2,1-3H3,(H,19,22)(H,20,21)/b5-4+
InChIKey ZHGOZYBDIXZJJI-SNAWJCMRSA-N
Mol Weight 323.36 g/mol
Molecular Formula C17H22FNO4
Exact Mass 323.153286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JEot2YbcMl
Name 5-(t-Butoxycarbonyl)amino-2-(4'-fluorobenzyl)pent-3-enoic acid
Alternate Name(s) (3E)-5-[(tert-butoxycarbonyl)amino]-2-(4-fluorobenzyl)-3-pentenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22FNO4
InChI InChI=1S/C17H22FNO4/c1-17(2,3)23-16(22)19-10-4-5-13(15(20)21)11-12-6-8-14(18)9-7-12/h4-9,13H,10-11H2,1-3H3,(H,19,22)(H,20,21)/b5-4+
InChIKey ZHGOZYBDIXZJJI-SNAWJCMRSA-N
Molecular Weight 323.364 g/mol
SMILES N(C\C=C\C(C(=O)O)Cc1ccc(cc1)F)C(=O)OC(C)(C)C
SPLASH splash10-0a4i-0930000000-b8f58b273a5fdf84f5ed
Source of Spectrum AN-100-396-13
Wiley ID 747212