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Isobutyl salicylate
SpectraBase Compound ID JDNJRy6LgfM
InChI InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChIKey PTXDBYSCVQQBNF-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 5RJi75aUUWH
Name Isobutyl salicylate
CAS Registry Number 87-19-4
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
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/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
InChIKey PTXDBYSCVQQBNF-UHFFFAOYSA-N
Molecular Weight 194.230 g/mol
Nominal Mass 194 u
Number of Peaks 117
SMILES Oc1c(C(OCC(C)C)=O)cccc1
SPLASH splash10-00di-4900000000-04c6a0796e68b1f213e9
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA002175