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N-[(2E)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-ylidene]alanine
SpectraBase Compound ID JnLX5wJgW3Z
InChI InChI=1S/C13H16N2O2/c1-9(13(16)17)14-12-8-4-6-10-5-2-3-7-11(10)15-12/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)(H,16,17)
InChIKey FQIWRMRKJLCEID-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pFxhbx4ceW
Name 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)propanoate
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Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-9(13(16)17)14-12-8-4-6-10-5-2-3-7-11(10)15-12/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,15)(H,16,17)
InChIKey FQIWRMRKJLCEID-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES N1c2c(CCC\C1=N\C(C(=O)O)C)cccc2
SPLASH splash10-00ko-6900000000-ea204963db206084162f
Synonyms 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneammonio)propionate 2-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneazaniumyl)propanoate 2-(4,5-dihydro-3H-1-benzazepin-2-ylamino)propanoic acid 2-(4,5-dihydro-3H-1-benzazepin-2-ylamino)propionic acid
Wiley ID 1510707