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8-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester
SpectraBase Compound ID JR3gysWFW54
InChI InChI=1S/C18H16F3NO4S/c1-2-25-17(23)11-5-12-8-24-10-26-16(12)13(6-11)9-27-15-4-3-14(7-22-15)18(19,20)21/h3-7H,2,8-10H2,1H3
InChIKey WSKKCELFBYQEOD-UHFFFAOYSA-N
Mol Weight 399.38 g/mol
Molecular Formula C18H16F3NO4S
Exact Mass 399.075214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvWkloVJxj3
Name 8-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester
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Formula C18H16F3NO4S
InChI InChI=1S/C18H16F3NO4S/c1-2-25-17(23)11-5-12-8-24-10-26-16(12)13(6-11)9-27-15-4-3-14(7-22-15)18(19,20)21/h3-7H,2,8-10H2,1H3
InChIKey WSKKCELFBYQEOD-UHFFFAOYSA-N
Molecular Weight 399.384 g/mol
SMILES C(c1cnc(SCc2c3c(cc(c2)C(=O)OCC)COCO3)cc1)(F)(F)F
SPLASH splash10-000e-5936000000-44bf941a168624f3f7f5
Synonyms 8-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Ethyl 8-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Ethyl 8-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate
Wiley ID 1446282