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Isobutyl phenylacetate
SpectraBase Compound ID 48dPlaj9F6K
InChI InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey RJASFPFZACBKBE-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1onUJqWO0Ad
Name Phenylacetate
Source of Sample SAFC Cat.no. W221007
CAS Registry Number 102-13-6
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 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey RJASFPFZACBKBE-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
Number of Peaks 50
RI1 1388
RI2 1067
RI3 1284
RI4 1244
SMILES c1(ccccc1)CC(OCC(C)C)=O
SPLASH splash10-0006-9100000000-045ede07478229959058
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 Benzeneacetic acid, 2-methylpropyl ester
Wiley ID LM_FFNSC3_455