| SpectraBase Spectrum ID |
DxqRKcusZGc |
| Name |
Eudesmate |
| Source of Sample |
SAFC Cat.no. M86006 |
| CAS Registry Number |
1916-07-0 |
| 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 |
226.084123546 u |
| Formula |
C11H14O5 |
| InChI |
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3 |
| InChIKey |
KACHFMOHOPLTNX-UHFFFAOYSA-N |
| Molecular Weight |
226.228 g/mol |
| Number of Peaks |
50 |
| RI1 |
1717 |
| RI2 |
1393 |
| SMILES |
c1c(cc(OC)c(c1OC)OC)C(OC)=O |
| SPLASH |
splash10-004i-4980000000-365ea1be4f9d1b3a7ebc |
| 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 |
Benzoic acid, 3,4,5-trimethoxy-, methyl ester |
| Wiley ID |
LM_FFNSC3_1835 |
