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2-(2,2,2-Trichloroethoxycarbonylamino)-pent-4-enoic acid methyl ester
SpectraBase Compound ID 1R02t7r8P8A
InChI InChI=1S/C9H12Cl3NO4/c1-3-4-6(7(14)16-2)13-8(15)17-5-9(10,11)12/h3,6H,1,4-5H2,2H3,(H,13,15)
InChIKey XYRSLELKHJGQIL-UHFFFAOYSA-N
Mol Weight 304.56 g/mol
Molecular Formula C9H12Cl3NO4
Exact Mass 302.983191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKXqzOxPcqu
Name 2-(2,2,2-Trichloroethoxycarbonylamino)-pent-4-enoic acid methyl ester
Alternate Name(s) Methyl 2-(((2,2,2-trichloroethoxy)carbonyl)amino)pent-4-enoate
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Formula C9H12Cl3NO4
InChI InChI=1S/C9H12Cl3NO4/c1-3-4-6(7(14)16-2)13-8(15)17-5-9(10,11)12/h3,6H,1,4-5H2,2H3,(H,13,15)
InChIKey XYRSLELKHJGQIL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600482
Molecular Weight 304.557 g/mol
SMILES N(C(CC=C)C(=O)OC)C(OCC(Cl)(Cl)Cl)=O
SPLASH splash10-00kf-9370000000-4a8760d407f574949c5e
Source of Spectrum ASC-349-157/SM2-1a
Wiley ID 1765308