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(2S)-2-[[1-(3-Benzyloxy)prop-1-ynyl)hex-4-enyl](4-methoxybenzyl)amino]propionic acid methyl ester
SpectraBase Compound ID CM3cDX1cr1k
InChI InChI=1S/C28H35NO4/c1-5-6-8-14-26(15-11-20-33-22-25-12-9-7-10-13-25)29(23(2)28(30)32-4)21-24-16-18-27(31-3)19-17-24/h5-7,9-10,12-13,16-19,23,26H,8,14,20-22H2,1-4H3/b6-5+/t23-,26?/m0/s1
InChIKey LJTKLSAKFFSEOV-CRXWRSBKSA-N
Mol Weight 449.6 g/mol
Molecular Formula C28H35NO4
Exact Mass 449.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iS6KIfAlGL
Name (2S)-2-[[1-(3-Benzyloxy)prop-1-ynyl)hex-4-enyl](4-methoxybenzyl)amino]propionic acid methyl ester
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Formula C28H35NO4
InChI InChI=1S/C28H35NO4/c1-5-6-8-14-26(15-11-20-33-22-25-12-9-7-10-13-25)29(23(2)28(30)32-4)21-24-16-18-27(31-3)19-17-24/h5-7,9-10,12-13,16-19,23,26H,8,14,20-22H2,1-4H3/b6-5+/t23-,26?/m0/s1
InChIKey LJTKLSAKFFSEOV-CRXWRSBKSA-N
Molecular Weight 449.591 g/mol
SMILES [C@](N(Cc1ccc(cc1)OC)C(C#CCOCc1ccccc1)CC\C=C\C)(C(=O)OC)(C)[H]
SPLASH splash10-00xu-1904000000-8dbaae20228a57a1af2c
Source of Spectrum J-73-3092-11
Wiley ID 1668218