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4-(n-Butoxy)phenylacetic acid

View entire compound with spectra: 3 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

4-(n-Butoxy)phenylacetic acid
SpectraBase Compound ID HckO6If9kKp
InChI InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKey KLJMYYFCWBVKEE-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yaYQrJclZy
Name 4-(n-Butoxyphenyl)acetic acid
CAS Registry Number 4547-57-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChIKey KLJMYYFCWBVKEE-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES OC(Cc1ccc(cc1)OCCCC)=O
SPLASH splash10-0a4i-7900000000-465583abe88eefd8101d
Source of Spectrum NP-4-5838-0
Synonyms 4-Butoxyphenylacetic acid Acetic acid, (p-butoxyphenyl)- Benzeneacetic acid, 4-butoxy- p-(Butoxyphenyl)acetic acid 2-(4-butoxyphenyl)ethanoic acid
Wiley ID 1104057