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2-(3-Chloro-1,1,2,2,3,3-hexafluoro-propyl)pyrimido[2,1-b][1,3]benzothiazol-4-one

View entire compound with spectra: 1 MS (GC)

2-(3-Chloro-1,1,2,2,3,3-hexafluoro-propyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
SpectraBase Compound ID FKVPc0KtLu5
InChI InChI=1S/C13H5ClF6N2OS/c14-13(19,20)12(17,18)11(15,16)8-5-9(23)22-6-3-1-2-4-7(6)24-10(22)21-8/h1-5H
InChIKey PVWNWOLZNRVGKJ-UHFFFAOYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C13H5ClF6N2OS
Exact Mass 385.971531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kmg1Y9I1yZL
Name 2-(3-Chloro-1,1,2,2,3,3-hexafluoro-propyl)pyrimido[2,1-b][1,3]benzothiazol-4-one
Alternate Name(s) 2-(3-Chloro-1,1,2,2,3,3-hexafluoropropyl)-4-pyrimido[2,1-b][1,3]benzothiazolone 2-[3-chloranyl-1,1,2,2,3,3-hexakis(fluoranyl)propyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
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Formula C13H5ClF6N2OS
InChI InChI=1S/C13H5ClF6N2OS/c14-13(19,20)12(17,18)11(15,16)8-5-9(23)22-6-3-1-2-4-7(6)24-10(22)21-8/h1-5H
InChIKey PVWNWOLZNRVGKJ-UHFFFAOYSA-N
Molecular Weight 386.699 g/mol
SMILES C1=2N(C(C=C(N2)C(C(C(F)(F)Cl)(F)F)(F)F)=O)c2c(S1)cccc2
SPLASH splash10-0079-0059000000-00a30a3e4d76bb59a097
Source of Spectrum KC-0-986-8
Wiley ID 787817