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isobutyric acid, p-tolyl ester
SpectraBase Compound ID 18FqlApkKSR
InChI InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey UPPSFGGDKACIKP-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 2u93kHHHvjH
Name Cresyl isobutyrate
CAS Registry Number 103-93-5
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/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey UPPSFGGDKACIKP-UHFFFAOYSA-N
Molecular Weight 178.231 g/mol
Nominal Mass 178 u
Number of Peaks 81
SMILES C(Oc1ccc(cc1)C)(C(C)C)=O
SPLASH splash10-0a4l-9700000000-1b7fc8d4ae459f3c50e2
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000385