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Benzoic acid, 3-cyano-4-(pentyloxy)-

View entire compound with spectra: 1 MS (GC)

Benzoic acid, 3-cyano-4-(pentyloxy)-
SpectraBase Compound ID ImN7LqZfQlV
InChI InChI=1S/C13H15NO3/c1-2-3-4-7-17-12-6-5-10(13(15)16)8-11(12)9-14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKey HSLUWDXCINUMHC-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpoyKopWYR7
Name Benzoic acid, 3-cyano-4-(pentyloxy)-
Alternate Name(s) 3-Cyano-4-(pentyloxy)benzoic acid 3-Cyano-4-pentoxybenzoic acid 3-Cyano-4-pentoxy-benzoic acid
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Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-2-3-4-7-17-12-6-5-10(13(15)16)8-11(12)9-14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKey HSLUWDXCINUMHC-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES OC(c1ccc(OCCCCC)c(c1)C#N)=O
SPLASH splash10-01vo-9500000000-8bdae633e5e7e0c028aa
Source of Spectrum JX-2015-0-968
Wiley ID 1720838