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phenylalanine, N-(2-hydroxy-2-methyl-3-heptynyl)-
SpectraBase Compound ID GSo5FPEcQRV
InChI InChI=1S/C17H23NO3/c1-3-4-8-11-17(2,21)13-18-15(16(19)20)12-14-9-6-5-7-10-14/h5-7,9-10,15,18,21H,3-4,12-13H2,1-2H3,(H,19,20)
InChIKey NQSAPSHMKMEUMT-UHFFFAOYSA-N
Mol Weight 289.37 g/mol
Molecular Formula C17H23NO3
Exact Mass 289.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Nz7Bf9BTHO
Name Propanoic acid, 2-(2-hydroxy-2-methylhept-3-ynyl)-3-phenyl-
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Formula C17H23NO3
InChI InChI=1S/C17H23NO3/c1-3-4-8-11-17(2,21)13-18-15(16(19)20)12-14-9-6-5-7-10-14/h5-7,9-10,15,18,21H,3-4,12-13H2,1-2H3,(H,19,20)
InChIKey NQSAPSHMKMEUMT-UHFFFAOYSA-N
Molecular Weight 289.375 g/mol
SMILES N(C(C(=O)O)Cc1ccccc1)CC(C#CCCC)(O)C
SPLASH splash10-005c-6900000000-af560c6733d0b7dcad86
Source of Spectrum AD-0-2532-0
Synonyms 2-[(2-hydroxy-2-methyl-hept-3-ynyl)amino]-3-phenyl-propanoic acid 2-[(2-hydroxy-2-methyl-hept-3-ynyl)amino]-3-phenyl-propionic acid 2-[(2-methyl-2-oxidanyl-hept-3-ynyl)amino]-3-phenyl-propanoic acid N-(2-Hydroxy-2-methyl-3-heptynyl)phenylalanine
Wiley ID 1430506