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Butylparaben
SpectraBase Compound ID KlY7eUYdyd7
InChI InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N
Mol Weight 194.23 g/mol
Molecular Formula C11H14O3
Exact Mass 194.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0QeRpUgBKo
Name Hydroxybenzoate <4-butyl->
Source of Sample SAFC Cat.no. W220302
CAS Registry Number 94-26-8
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 194.094294308 u
Formula C11H14O3
InChI InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3
InChIKey QFOHBWFCKVYLES-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
Number of Peaks 50
RI1 1729
RI2 1404
RI3 2482
RI4 2452
RI5 1699
SMILES Oc1ccc(cc1)C(OCCCC)=O
SPLASH splash10-00di-4900000000-14629740034c5d5e7eb2
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzoic acid, 4-hydroxy-, butyl ester
Wiley ID LM_FFNSC3_33