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Isopropoxyethyl Salicylate
SpectraBase Compound ID 3Vr0A9Z14sK
InChI InChI=1S/C12H16O4/c1-8(2)15-9(3)16-12(14)10-6-4-5-7-11(10)13/h4-9,13H,1-3H3
InChIKey XAWHATNJBOHKPK-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CX2PGrTGTh8
Name Isopropoxyethyl Salicylate
CAS Registry Number 79915-74-5
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 224.104858991 u
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-8(2)15-9(3)16-12(14)10-6-4-5-7-11(10)13/h4-9,13H,1-3H3
InChIKey XAWHATNJBOHKPK-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
Number of Peaks 50
RI1 1603
RI2 1282
RI3 1583
RI4 1542
RI5 1577
SMILES Oc1c(C(=O)OC(C)OC(C)C)cccc1
SPLASH splash10-00di-4900000000-8098a946b42ed8dede01
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzoic acid, 2-hydroxy-, 2-(1-methylethoxy)ethyl ester
Wiley ID LM_FFNSC3_3286