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Isoamyl salicylate

View entire compound with spectra: 5 NMR, 6 FTIR, 1 Raman, 1 UV-Vis, and 14 MS (GC)

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 1hkHGlw2f0g
Name Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
CAS Registry Number 87-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
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(C(OCCC(C)C)=O)cccc1
SPLASH splash10-00di-3900000000-7cf0666818b787c68f74
Source of Spectrum Va-0-0-0
Synonyms 2-Hydroxybenzoic acid 3-methylbutyl ester 2-Hydroxybenzoic acid isoamyl ester 3-Methylbutyl 2-hydroxybenzoate 3-Methylbutyl 2-oxidanylbenzoate 3-Methylbutyl salicylate 3-Methylbutyl o-hydroxybenzoate Benzoic acid, o-hydroxy, 3-methylbutyl ester Isoamyl o-hydroxybenzoate Isoamyl salicylate Isoamylester kyseliny salicylove isopentyl 2-hydroxybenzoate Isopentyl o-hydroxybenzoate Isopentyl salicylate Isopentyl-2-hydroxyphenyl methanoate Orchidee Salicylic acid, isopentyl ester Sanfoin AI3-00378 BRN 2580465 EINECS 201-730-4 FEMA NO. 2084 NSC 7952
Wiley ID 739147