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2,2,2-Trichloroethyl (2E)-3-[((5-oxo-4-[(phenoxycarbonyl)amino]-2,5-dihydro-3-furanyl)methyl)sulfanyl]-2-propenoate
SpectraBase Compound ID 4aiDUbXLEgR
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/h1-7,11H,8-10H2/b7-6+,21-14+
InChIKey YHLTZXPYERRLQH-VZUGOBIKSA-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 21KAZLsCKu
Name 2,2,2-Trichloroethyl (2E)-3-[((5-oxo-4-[(phenoxycarbonyl)amino]-2,5-dihydro-3-furanyl)methyl)sulfanyl]-2-propenoate
Alternate Name(s) 2(5H)Furanone, 3-(phenoxycarbonylamino)-4-[2-(2,2,2-trichloroethoxycarbonyl)ethenyl]thiomethyl-
CAS Registry Number 61485-34-5
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/h1-7,11H,8-10H2/b7-6+,21-14+
InChIKey YHLTZXPYERRLQH-VZUGOBIKSA-N
Molecular Weight 466.719 g/mol
SMILES c1(ccccc1)OC(=O)\N=C\1C(OCC1CS\C=C\C(=O)OCC(Cl)(Cl)Cl)=O
SPLASH splash10-00ko-9410000000-de53b049cbf93f546b18
Source of Spectrum H-59-1995-9
Wiley ID 1391680