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(Benzo[b]thiophene-2-yl)(cyano)methyl acetate
SpectraBase Compound ID 7TrLgPsnTVs
InChI InChI=1S/C12H9NO2S/c1-8(14)15-10(7-13)12-6-9-4-2-3-5-11(9)16-12/h2-6,10H,1H3
InChIKey RXSALNCFRLQLEC-UHFFFAOYSA-N
Mol Weight 231.27 g/mol
Molecular Formula C12H9NO2S
Exact Mass 231.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EytmxddRO3T
Name (Benzo[b]thiophene-2-yl)(cyano)methyl acetate
Alternate Name(s) Acetic acid [1-benzothiophen-2-yl(cyano)methyl] ester [1-benzothiophen-2-yl(cyano)methyl] acetate [benzothiophen-2-yl(cyano)methyl] acetate [1-benzothiophen-2-yl(cyano)methyl] ethanoate
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Formula C12H9NO2S
InChI InChI=1S/C12H9NO2S/c1-8(14)15-10(7-13)12-6-9-4-2-3-5-11(9)16-12/h2-6,10H,1H3
InChIKey RXSALNCFRLQLEC-UHFFFAOYSA-N
Molecular Weight 231.269 g/mol
SMILES c1(sc2ccccc2c1)C(C#N)OC(=O)C
SPLASH splash10-00dl-7910000000-f12c629831906e9ff25e
Source of Spectrum QC-21-448-3b
Wiley ID 1713363