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2-(benzylamino)pent-4-enoic acid methyl ester
SpectraBase Compound ID CA1j57KDrnS
InChI InChI=1S/C13H17NO2/c1-3-7-12(13(15)16-2)14-10-11-8-5-4-6-9-11/h3-6,8-9,12,14H,1,7,10H2,2H3
InChIKey PDBOLUBNEPQKMU-UHFFFAOYSA-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 5jkMlzNCFaF
Name 2-(benzylamino)pent-4-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-3-7-12(13(15)16-2)14-10-11-8-5-4-6-9-11/h3-6,8-9,12,14H,1,7,10H2,2H3
InChIKey PDBOLUBNEPQKMU-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES N(C(C(=O)OC)CC=C)Cc1ccccc1
SPLASH splash10-006x-9000000000-4c145018c69c46a96c38
Source of Spectrum KC-0-2819-9
Synonyms 2-[(phenylmethyl)amino]-4-pentenoic acid methyl ester Methyl 2-(benzylamino)pent-4-enoate Methyl 2-[(phenylmethyl)amino]pent-4-enoate
Wiley ID 826452