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N-(4'-Methylpent-3'-enyl)-N-benzyl-3-(3",4"-dimethoxyphenyl)alanine - ethyl ester

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N-(4'-Methylpent-3'-enyl)-N-benzyl-3-(3",4"-dimethoxyphenyl)alanine - ethyl ester
SpectraBase Compound ID 82e7rlZ15Wf
InChI InChI=1S/C26H35NO4/c1-6-31-26(28)23(17-22-14-15-24(29-4)25(18-22)30-5)27(16-10-11-20(2)3)19-21-12-8-7-9-13-21/h7-9,11-15,18,23H,6,10,16-17,19H2,1-5H3/t23-/m0/s1
InChIKey NVSGBXXROIOYEF-QHCPKHFHSA-N
Mol Weight 425.6 g/mol
Molecular Formula C26H35NO4
Exact Mass 425.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C80kTFRxkXa
Name N-(4'-Methylpent-3'-enyl)-N-benzyl-3-(3",4"-dimethoxyphenyl)alanine - ethyl ester
Alternate Name(s) Ethyl (2S)-2-[benzyl(4-methyl-3-pentenyl)amino]-3-(3,4-dimethoxyphenyl)propanoate N-(4'-Methylpent-3'-enyl)-N-benzyl-3-(3'',4''-dimethoxyphenyl)alanine-ethyl ester
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Formula C26H35NO4
InChI InChI=1S/C26H35NO4/c1-6-31-26(28)23(17-22-14-15-24(29-4)25(18-22)30-5)27(16-10-11-20(2)3)19-21-12-8-7-9-13-21/h7-9,11-15,18,23H,6,10,16-17,19H2,1-5H3/t23-/m0/s1
InChIKey NVSGBXXROIOYEF-QHCPKHFHSA-N
Molecular Weight 425.569 g/mol
SMILES [C@](N(Cc1ccccc1)CCC=C(C)C)(C(=O)OCC)(Cc1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0a4l-8569000000-04218deb2757c68efb3d
Source of Spectrum H-84-2068-9
Wiley ID 847711