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Xanthoxylin <3,O-, dimethyl->
SpectraBase Compound ID HCADVErnHuR
InChI InChI=1S/C12H16O4/c1-7-9(14-3)6-10(15-4)11(8(2)13)12(7)16-5/h6H,1-5H3
InChIKey JUWLMMHIOBSJSI-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 10OBQsNlKxT
Name 2,4,6-Trimethoxy-3-methylacetophenone
Alternate Name(s) Acetophenone<2,4,6-trimethoxy-3-methyl->
CAS Registry Number 39701-13-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
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/C12H16O4/c1-7-9(14-3)6-10(15-4)11(8(2)13)12(7)16-5/h6H,1-5H3
InChIKey JUWLMMHIOBSJSI-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES COc1cc(c(c(OC)c1C(C)=O)C)OC
SPLASH splash10-0a4i-8980000000-9ca11d604d6cb58467eb
Source ex BACKHOUSIA BRANCROFTII
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1885776