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Ethyl 2-(3-(2-cyanoethyl)-2-thioxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-2-fluoroacetate
SpectraBase Compound ID DSrlVNo0FAe
InChI InChI=1S/C14H14FN3O2S/c1-2-20-13(19)12(15)18-11-7-4-3-6-10(11)17(14(18)21)9-5-8-16/h3-4,6-7,12H,2,5,9H2,1H3
InChIKey LRNXLDWDWZZDRD-UHFFFAOYSA-N
Mol Weight 307.34 g/mol
Molecular Formula C14H14FN3O2S
Exact Mass 307.079076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpIKKIHn0OP
Name Ethyl 2-(3-(2-cyanoethyl)-2-thioxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-2-fluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14FN3O2S
InChI InChI=1S/C14H14FN3O2S/c1-2-20-13(19)12(15)18-11-7-4-3-6-10(11)17(14(18)21)9-5-8-16/h3-4,6-7,12H,2,5,9H2,1H3
InChIKey LRNXLDWDWZZDRD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201801166
Molecular Weight 307.343 g/mol
SMILES C(C)OC(C(F)N1C(N(c2c1cccc2)CCC#N)=S)=O
SPLASH splash10-053r-0916000000-067c732549cabe9d34bb
Source of Spectrum ASC-360-4802-21
Wiley ID 1812237