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(2E)-4-[(tert-Butoxycarbonyl)amino]-5-phenyl-2-pentenoic acid
SpectraBase Compound ID IEptCRLgVQb
InChI InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19)/b10-9+
InChIKey AAPMMQYSZDNRPM-MDZDMXLPSA-N
Mol Weight 291.35 g/mol
Molecular Formula C16H21NO4
Exact Mass 291.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dZaJHdmCY
Name (2E)-4-[(tert-Butoxycarbonyl)amino]-5-phenyl-2-pentenoic acid
CAS Registry Number 139545-04-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO4
InChI InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(9-10-14(18)19)11-12-7-5-4-6-8-12/h4-10,13H,11H2,1-3H3,(H,17,20)(H,18,19)/b10-9+
InChIKey AAPMMQYSZDNRPM-MDZDMXLPSA-N
Molecular Weight 291.347 g/mol
SMILES N(C(OC(C)(C)C)=O)C(\C=C\C(=O)O)Cc1ccccc1
SPLASH splash10-0006-9300000000-8ebdb2aa240285179442
Source of Spectrum KC-57-4912-4
Synonyms 2-(E)-Pentenoic acid, (4S)-4-[(t-butoxycarbonyl)amino]-5-phenyl- (E)-4-(tert-butoxycarbonylamino)-5-phenyl-pent-2-enoic acid (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-pent-2-enoic acid (E)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-2-pentenoic acid
Wiley ID 1624429