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(3-Trifluoromethylbenzoyl)carbamic acid, 1,1-dioxo-tetrahydro-1.lambda.(6)-thiophen-3-yl ester
SpectraBase Compound ID HQicTRBKYgv
InChI InChI=1S/C13H12F3NO5S/c14-13(15,16)9-3-1-2-8(6-9)11(18)17-12(19)22-10-4-5-23(20,21)7-10/h1-3,6,10H,4-5,7H2,(H,17,18,19)
InChIKey SPSNEFVEHWOZNF-UHFFFAOYSA-N
Mol Weight 351.3 g/mol
Molecular Formula C13H12F3NO5S
Exact Mass 351.038828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lZzddOfpVx
Name (3-Trifluoromethylbenzoyl)carbamic acid, 1,1-dioxo-tetrahydro-1.lambda.(6)-thiophen-3-yl ester
Alternate Name(s) (1,1-dioxothiolan-3-yl) N-[3-(trifluoromethyl)benzoyl]carbamate N-[3-(trifluoromethyl)benzoyl]carbamic acid (1,1-diketothiolan-3-yl) ester N-[oxo-[3-(trifluoromethyl)phenyl]methyl]carbamic acid (1,1-dioxo-3-thiolanyl) ester
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Formula C13H12F3NO5S
InChI InChI=1S/C13H12F3NO5S/c14-13(15,16)9-3-1-2-8(6-9)11(18)17-12(19)22-10-4-5-23(20,21)7-10/h1-3,6,10H,4-5,7H2,(H,17,18,19)
InChIKey SPSNEFVEHWOZNF-UHFFFAOYSA-N
Molecular Weight 351.296 g/mol
SMILES N(C(OC1CS(=O)(=O)CC1)=O)C(c1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-00dj-5900000000-744407828d24208ed9c2
Wiley ID 1440960