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l-Phenylalanine, N-isobutoxycarbonyl-, hexyl ester

View entire compound with spectra: 1 MS (GC)

l-Phenylalanine, N-isobutoxycarbonyl-, hexyl ester
SpectraBase Compound ID 4Edwzj7K7uS
InChI InChI=1S/C20H31NO4/c1-4-5-6-10-13-24-19(22)18(14-17-11-8-7-9-12-17)21-20(23)25-15-16(2)3/h7-9,11-12,16,18H,4-6,10,13-15H2,1-3H3,(H,21,23)
InChIKey KGDVCJXMXIXOEN-UHFFFAOYSA-N
Mol Weight 349.47 g/mol
Molecular Formula C20H31NO4
Exact Mass 349.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cxpWDJV1Wl
Name l-Phenylalanine, N-isobutoxycarbonyl-, hexyl ester
Alternate Name(s) 2-[[2-methylpropoxy(oxo)methyl]amino]-3-phenylpropanoic acid hexyl ester Hexyl 2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate Hexyl 2-(isobutoxycarbonylamino)-3-phenyl-propanoate Hexyl 2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoate
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Formula C20H31NO4
InChI InChI=1S/C20H31NO4/c1-4-5-6-10-13-24-19(22)18(14-17-11-8-7-9-12-17)21-20(23)25-15-16(2)3/h7-9,11-12,16,18H,4-6,10,13-15H2,1-3H3,(H,21,23)
InChIKey KGDVCJXMXIXOEN-UHFFFAOYSA-N
Molecular Weight 349.471 g/mol
SMILES N(C(OCC(C)C)=O)C(C(OCCCCCC)=O)Cc1ccccc1
SPLASH splash10-0597-9510000000-bd1df87f27247eec85d6
Source of Spectrum NP-12-6782-0
Wiley ID 1110489