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2-Propenoic acid, 3-[[[2,5-dihydro-5-oxo-4-[(phenoxycarbonyl)amino]-3-furanyl]methyl]th io]-, 2,2,2-trichloroethyl ester, (Z)-
SpectraBase Compound ID 3g2yYdF4nGL
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-SREVYHEPSA-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 4JiUiCxTqVW
Name 2-Propenoic acid, 3-[[[2,5-dihydro-5-oxo-4-[(phenoxycarbonyl)amino]-3-furanyl]methyl]th io]-, 2,2,2-trichloroethyl ester, (Z)-
Alternate Name(s) 2,2,2-trichloroethyl (2Z)-3-[({5-oxo-4-[(phenoxycarbonyl)amino]-2,5-dihydro-3-furanyl}methyl)sulfanyl]-2-propenoate cis-3-phenoxycarbonylamino-4-(b-(2',2',2'-trichlorethoxy)-carbonyl-vinylthio)methyl-2(5H)-furanone
CAS Registry Number 61485-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-SREVYHEPSA-N
Molecular Weight 466.719 g/mol
SMILES N(C(Oc1ccccc1)=O)C1=C(COC1=O)CS\C=C/C(=O)OCC(Cl)(Cl)Cl
SPLASH splash10-00ko-9400000000-4d0cf1bf91351e51a850
Source of Spectrum H-59-1994-9
Wiley ID 1391679