| SpectraBase Spectrum ID |
DSSb2Q7TPa9 |
| Name |
Xanthoxylin <5-methyl-> |
| CAS Registry Number |
14964-98-8 |
| 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 |
210.089208927 u |
| Formula |
C11H14O4 |
| InChI |
InChI=1S/C11H14O4/c1-6-9(14-3)5-8(13)10(7(2)12)11(6)15-4/h5,13H,1-4H3 |
| InChIKey |
DUTVTRPNMVUOIS-UHFFFAOYSA-N |
| Molecular Weight |
210.229 g/mol |
| Number of Peaks |
50 |
| RI1 |
1766 |
| RI2 |
1409 |
| SMILES |
Oc1cc(c(c(c1C(C)=O)OC)C)OC |
| SPLASH |
splash10-0002-3920000000-ea0a55889a46240e36db |
| 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-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)- |
| Wiley ID |
LM_FFNSC3_1801 |
