| SpectraBase Spectrum ID |
LQNAnK4mMFS |
| Name |
Xanthoxylin <3,O-, dimethyl-> |
| CAS Registry Number |
39701-13-8 |
| 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/c1-7-9(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 |
| Number of Peaks |
50 |
| RI1 |
1701 |
| RI2 |
1348 |
| SMILES |
c1(c(c(c(c(c1)OC)C(C)=O)OC)C)OC |
| SPLASH |
splash10-0ab9-5690000000-d79a54383f7e3498881e |
| 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 |
Ethanone, 1-(2,4,6-trimethoxy-3-methylphenyl)- |
| Wiley ID |
LM_FFNSC3_1800 |
