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2-(E)-Pentenoic acid, (4S)-amino-5-phenyl-, ethyl ester
SpectraBase Compound ID 6VsUxcEV8PX
InChI InChI=1S/C13H17NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3/b9-8+
InChIKey OSOJJKZDZDPLSA-CMDGGOBGSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8Z53IcXwBv
Name 2-(E)-Pentenoic acid, (4S)-amino-5-phenyl-, ethyl ester
CAS Registry Number 244033-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-2-16-13(15)9-8-12(14)10-11-6-4-3-5-7-11/h3-9,12H,2,10,14H2,1H3/b9-8+
InChIKey OSOJJKZDZDPLSA-CMDGGOBGSA-N
Molecular Weight 219.284 g/mol
SMILES NC(\C=C\C(OCC)=O)Cc1ccccc1
SPLASH splash10-004i-8900000000-2f38e5e6c2baac5cef47
Synonyms (E)-4-amino-5-phenyl-2-pentenoic acid ethyl ester (E)-4-amino-5-phenyl-pent-2-enoic acid ethyl ester Ethyl (2E)-4-amino-5-phenyl-2-pentenoate Ethyl (E)-4-amino-5-phenyl-pent-2-enoate Ethyl (E)-4-azanyl-5-phenyl-pent-2-enoate
Wiley ID 1492078