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(Z)-3-(4-fluorophenyl)-2-(thiocyanatomethyl)-2-propenoic acid ethyl ester
SpectraBase Compound ID GmG87JwHW5e
InChI InChI=1S/C13H12FNO2S/c1-2-17-13(16)11(8-18-9-15)7-10-3-5-12(14)6-4-10/h3-7H,2,8H2,1H3/b11-7+
InChIKey BSTIAEYTMCXBHP-YRNVUSSQSA-N
Mol Weight 265.3 g/mol
Molecular Formula C13H12FNO2S
Exact Mass 265.057278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYJgaaxKrGr
Name (Z)-3-(4-fluorophenyl)-2-(thiocyanatomethyl)-2-propenoic acid ethyl ester
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Formula C13H12FNO2S
InChI InChI=1S/C13H12FNO2S/c1-2-17-13(16)11(8-18-9-15)7-10-3-5-12(14)6-4-10/h3-7H,2,8H2,1H3/b11-7+
InChIKey BSTIAEYTMCXBHP-YRNVUSSQSA-N
Molecular Weight 265.302 g/mol
SMILES C(\C(=C\c1ccc(cc1)F)CSC#N)(=O)OCC
SPLASH splash10-0a4i-9450000000-797bb0b45ff0e9876681
Source of Spectrum F4-0-2774-2
Synonyms (Z)-3-(4-fluorophenyl)-2-(thiocyanatomethyl)acrylic acid ethyl ester Ethyl (Z)-3-(4-fluorophenyl)-2-(thiocyanatomethyl)prop-2-enoate
Wiley ID 1620336