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Isoamyl salicylate
SpectraBase Compound ID Kx8fgC1b2il
InChI InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U5HGeWe6lA
Name Isopentyl salicylate
CAS Registry Number 87-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChIKey PMGCQNGBLMMXEW-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES Oc1c(cccc1)C(OCCC(C)C)=O
SPLASH splash10-00di-6900000000-5a71406d65f3f7c3a999
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886530