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Carbamic acid, [2-[2-oxo-3-(phenylsulfinyl)butyl]phenyl]-, 2,2,2-trichloroethyl ester
SpectraBase Compound ID BhweMiF1dA1
InChI InChI=1S/C19H18Cl3NO4S/c1-13(28(26)15-8-3-2-4-9-15)17(24)11-14-7-5-6-10-16(14)23-18(25)27-12-19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)
InChIKey INILHZYBFZAJIJ-UHFFFAOYSA-N
Mol Weight 462.78 g/mol
Molecular Formula C19H18Cl3NO4S
Exact Mass 461.002212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JmG6L4PaXl
Name Carbamic acid, [2-[2-oxo-3-(phenylsulfinyl)butyl]phenyl]-, 2,2,2-trichloroethyl ester
CAS Registry Number 104737-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18Cl3NO4S
InChI InChI=1S/C19H18Cl3NO4S/c1-13(28(26)15-8-3-2-4-9-15)17(24)11-14-7-5-6-10-16(14)23-18(25)27-12-19(20,21)22/h2-10,13H,11-12H2,1H3,(H,23,25)
InChIKey INILHZYBFZAJIJ-UHFFFAOYSA-N
Molecular Weight 462.775 g/mol
SMILES N(C(=O)OCC(Cl)(Cl)Cl)c1c(CC(C(S(=O)c2ccccc2)C)=O)cccc1
SPLASH splash10-001i-0901000000-ff999dd59125561fea4d
Source of Spectrum H-68-1842-17
Synonyms 2,2,2-trichloroethyl 2-[2-oxo-3-(phenylsulfinyl)butyl]phenylcarbamate N-{2-[2-oxo-3-(phenylsulfinyl)butyl]phenyl}carbamidsaure-(2,2,2-trichlorethyl)ester
Wiley ID 1390732