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3-Cyanobenzyl Acetate
SpectraBase Compound ID LFCgGseckJy
InChI InChI=1S/C10H9NO2/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,7H2,1H3
InChIKey HASPIPUGHLZBHX-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C10H9NO2
Exact Mass 175.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HGaPPxeSOl
Name 3-Cyanobenzyl Acetate
Alternate Name(s) m-Cyanobenzyl Acetate (3-cyanophenyl)methyl acetate (3-cyanophenyl)methyl ethanoate Acetic acid (3-cyanobenzyl) ester Acetic acid (3-cyanophenyl)methyl ester
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Formula C10H9NO2
InChI InChI=1S/C10H9NO2/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,7H2,1H3
InChIKey HASPIPUGHLZBHX-UHFFFAOYSA-N
Molecular Weight 175.187 g/mol
SMILES C(#N)c1cc(COC(=O)C)ccc1
SPLASH splash10-00lr-3900000000-b1a56948e084ea2e4514
Source of Spectrum J-59-5593-3
Wiley ID 1171483