| SpectraBase Spectrum ID |
DDOqNl6sdvR |
| Name |
Xanthoxylin |
| CAS Registry Number |
90-24-4 |
| 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 |
196.073558862 u |
| Formula |
C10H12O4 |
| InChI |
InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3 |
| InChIKey |
FBUBVLUPUDBFME-UHFFFAOYSA-N |
| Molecular Weight |
196.202 g/mol |
| Number of Peaks |
50 |
| RI1 |
1670 |
| RI2 |
1347 |
| SMILES |
Oc1cc(cc(c1C(C)=O)OC)OC |
| SPLASH |
splash10-001i-2900000000-d0a79ac402b8fe69bb90 |
| 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-hydroxy-4,6-dimethoxyphenyl)- |
| Wiley ID |
LM_FFNSC3_1794 |
