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Propyl 4-hydroxybenzoate
SpectraBase Compound ID EIncnuDFi4k
InChI InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey QELSKZZBTMNZEB-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ei2fOjTMQkC
Name Propyl 4-hydroxybenzoate
Source of Sample SAFC Cat.no. P53357
CAS Registry Number 94-13-3
Comments Generally Recognized as Safe; NTIS Accession Number: PB221950
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 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
InChIKey QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Weight 180.203 g/mol
Number of Peaks 50
RI1 1628
RI2 1306
SMILES Oc1ccc(C(OCCC)=O)cc1
SPLASH splash10-00dr-2900000000-ac22eb3d2ea39217039b
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-, propyl ester
Wiley ID LM_FFNSC3_2043