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Phenylalanine, N-(3,5-dinitrobenzoyl)-, 10-undecen-1-yl ester
SpectraBase Compound ID 81LbuTfvuf3
InChI InChI=1S/C27H33N3O7/c1-2-3-4-5-6-7-8-9-13-16-37-27(32)25(17-21-14-11-10-12-15-21)28-26(31)22-18-23(29(33)34)20-24(19-22)30(35)36/h2,10-12,14-15,18-20,25H,1,3-9,13,16-17H2,(H,28,31)
InChIKey HQVFRKKKNRGXTD-UHFFFAOYSA-N
Mol Weight 511.6 g/mol
Molecular Formula C27H33N3O7
Exact Mass 511.23185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JvjQYznNBP
Name Phenylalanine, N-(3,5-dinitrobenzoyl)-, 10-undecen-1-yl ester
Alternate Name(s) 10-Undecenyl 2-[(3,5-dinitrobenzoyl)amino]-3-phenylpropanoate 2-[(3,5-dinitrobenzoyl)amino]-3-phenyl-propionic acid undec-10-enyl ester 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-phenylpropanoic acid undec-10-enyl ester undec-10-enyl 2-[(3,5-dinitrobenzoyl)amino]-3-phenyl-propanoate undec-10-enyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-phenyl-propanoate
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Formula C27H33N3O7
InChI InChI=1S/C27H33N3O7/c1-2-3-4-5-6-7-8-9-13-16-37-27(32)25(17-21-14-11-10-12-15-21)28-26(31)22-18-23(29(33)34)20-24(19-22)30(35)36/h2,10-12,14-15,18-20,25H,1,3-9,13,16-17H2,(H,28,31)
InChIKey HQVFRKKKNRGXTD-UHFFFAOYSA-N
Molecular Weight 511.575 g/mol
SMILES N(C(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)C(Cc1ccccc1)C(=O)OCCCCCCCCCC=C
SPLASH splash10-0005-7911000000-48ffa7af31f51c4b1e25
Wiley ID 1501297