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3-Cyano-4-(hexyloxy)benzoic acid
SpectraBase Compound ID 354Kcn2OJT8
InChI InChI=1S/C14H17NO3/c1-2-3-4-5-8-18-13-7-6-11(14(16)17)9-12(13)10-15/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKey DFPHFPFAZFPZDC-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJqlAI5JCeF
Name 3-Cyano-4-(hexyloxy)benzoic acid
Alternate Name(s) 3-cyano-4-hexoxy-benzoic acid Benzoic acid, 3-cyano-4-hexyloxy-
CAS Registry Number 313492-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-2-3-4-5-8-18-13-7-6-11(14(16)17)9-12(13)10-15/h6-7,9H,2-5,8H2,1H3,(H,16,17)
InChIKey DFPHFPFAZFPZDC-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES OC(=O)c1cc(c(cc1)OCCCCCC)C#N
SPLASH splash10-0006-9200000000-1aaa51b61cc6de4cf967
Source of Spectrum AD-0-2532-0
Wiley ID 1423358