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2-Imino-3-(3-methylthiopropyl)-6-trifluoromethoxybenzothiazoline

View entire compound with spectra: 1 MS (GC)

2-Imino-3-(3-methylthiopropyl)-6-trifluoromethoxybenzothiazoline
SpectraBase Compound ID CBaVhvgs4UE
InChI InChI=1S/C12H13F3N2OS2/c1-19-6-2-5-17-9-4-3-8(18-12(13,14)15)7-10(9)20-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChIKey MAEVCVVOXIXXTJ-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C12H13F3N2OS2
Exact Mass 322.04214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33gg6eTo6MG
Name 2-Imino-3-(3-methylthiopropyl)-6-trifluoromethoxybenzothiazoline
Alternate Name(s) 3-(3-methylsulfanylpropyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine 3-(3-methylsulfanylpropyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine 3-[3-(methylthio)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine [3-[3-(methylthio)propyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3N2OS2
InChI InChI=1S/C12H13F3N2OS2/c1-19-6-2-5-17-9-4-3-8(18-12(13,14)15)7-10(9)20-11(17)16/h3-4,7,16H,2,5-6H2,1H3
InChIKey MAEVCVVOXIXXTJ-UHFFFAOYSA-N
Molecular Weight 322.364 g/mol
SMILES N=C1N(c2ccc(OC(F)(F)F)cc2S1)CCCSC
SPLASH splash10-006t-0090000000-f3ad2a5394701f56568d
Source of Spectrum F2-42-2838-69
Wiley ID 1600299