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Isopropyl phenylacetate
SpectraBase Compound ID 93LZwnKjp3P
InChI InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey SSMBXPJYHMZLOJ-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQWh2zQp516
Name Isopropyl phenylacetate
CAS Registry Number 4861-85-2
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 178.099379689 u
Formula C11H14O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey SSMBXPJYHMZLOJ-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
Nominal Mass 178 u
Number of Peaks 54
SMILES c1cc(ccc1)CC(OC(C)C)=O
SPLASH splash10-0006-9000000000-04f36b40bccad8370c61
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000776