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Methyl 2-{(1S)-1-[(tert-butoxy)carbonylamino]-2-methylbutyl}-(2Z)-3-(4-methoxyphenyl)prop-2-enoate
SpectraBase Compound ID IPvqXBExTjp
InChI InChI=1S/C21H31NO5/c1-8-14(2)18(22-20(24)27-21(3,4)5)17(19(23)26-7)13-15-9-11-16(25-6)12-10-15/h9-14,18H,8H2,1-7H3,(H,22,24)/b17-13-/t14?,18-/m0/s1
InChIKey NZYVJWKDXNGKCF-QXOAZDNZSA-N
Mol Weight 377.48 g/mol
Molecular Formula C21H31NO5
Exact Mass 377.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93NCCam8SV2
Name Methyl 2-{(1S)-1-[(tert-butoxy)carbonylamino]-2-methylbutyl}-(2Z)-3-(4-methoxyphenyl)prop-2-enoate
Alternate Name(s) methyl (2Z)-2-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-methylbutyl}-3-(4-methoxyphenyl)-2-propenoate
Comments Less than 3 mono-isotopic peaks
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Formula C21H31NO5
InChI InChI=1S/C21H31NO5/c1-8-14(2)18(22-20(24)27-21(3,4)5)17(19(23)26-7)13-15-9-11-16(25-6)12-10-15/h9-14,18H,8H2,1-7H3,(H,22,24)/b17-13-/t14?,18-/m0/s1
InChIKey NZYVJWKDXNGKCF-QXOAZDNZSA-N
Molecular Weight 377.481 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C(C(=O)OC)=C\c1ccc(cc1)OC)(C(CC)C)[H]
SPLASH splash10-00di-0090000000-9d33f46b72588b432b8b
Source of Spectrum KD-13-600-17
Wiley ID 1635059