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ISOASARONE
SpectraBase Compound ID Lv2zX7Gxlt8
InChI InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3
InChIKey AUNAUZZQBAIQFJ-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 Ha0ttmMKThd
Name Asarone
CAS Registry Number 5353-15-1
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 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3
InChIKey AUNAUZZQBAIQFJ-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
Number of Peaks 50
RI1 1575
SMILES c1c(c(OC)cc(c1OC)CC=C)OC
SPLASH splash10-0aou-8930000000-34d1bd2ac5295cefed30
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 Benzene, 1,2,4-trimethoxy-5-(2-propen-1-yl)-
Wiley ID LM_FFNSC3_2373