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2(5H)Furanone, 3-(phenoxycarbonylamino)-4-[2-(2,2,2-trichloroethoxycarbonyl)ethenyl]thiomethyl-
SpectraBase Compound ID Hm6JkaRchFg
InChI InChI=1S/C17H14Cl3NO6S/c18-17(19,20)10-26-13(22)6-7-28-9-11-8-25-15(23)14(11)21-16(24)27-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,21,24)/b7-6+
InChIKey BHTWYOAWZZJZJD-VOTSOKGWSA-N
Mol Weight 466.72 g/mol
Molecular Formula C17H14Cl3NO6S
Exact Mass 464.960741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJAUNdkdRcz
Name 2(5H)Furanone, 3-(phenoxycarbonylamino)-4-[2-(2,2,2-trichloroethoxycarbonyl)ethenyl]thiomethyl-
Comments Structure changed after expert review
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Formula C17H14Cl3NO6S
InChI InChI=1S/C17H14Cl3NO6S/c18-17(19,20)10-26-13(22)6-7-28-9-11-8-25-15(23)14(11)21-16(24)27-12-4-2-1-3-5-12/h1-7H,8-10H2,(H,21,24)/b7-6+
InChIKey BHTWYOAWZZJZJD-VOTSOKGWSA-N
Molecular Weight 466.719 g/mol
SMILES N(C(=O)Oc1ccccc1)C=1C(=O)OCC1CS\C=C\C(OCC(Cl)(Cl)Cl)=O
SPLASH splash10-00ku-9310000000-ef5201d5b99d7318815b
Synonyms 2,2,2-Trichloroethyl (2E)-3-[((5-oxo-4-[(phenoxycarbonyl)amino]-2,5-dihydro-3-furanyl)methyl)sulfanyl]-2-propenoate 2,2,2-trichloroethyl (E)-3-[[5-oxo-4-(phenoxycarbonylamino)-2H-furan-3-yl]methylsulfanyl]prop-2-enoate (E)-3-[[5-oxo-4-[[oxo(phenoxy)methyl]amino]-2H-furan-3-yl]methylthio]-2-propenoic acid 2,2,2-trichloroethyl ester 2,2,2-tris(chloranyl)ethyl (E)-3-[[5-oxidanylidene-4-(phenoxycarbonylamino)-2H-furan-3-yl]methylsulfanyl]prop-2-enoate (E)-3-[[4-(carbophenoxyamino)-5-keto-2H-furan-3-yl]methylthio]acrylic acid 2,2,2-trichloroethyl ester
Wiley ID 1480108