| SpectraBase Spectrum ID |
JDROuhi5E3Y |
| Name |
Salicylate |
| Source of Sample |
SAFC Cat.no. W208418 |
| CAS Registry Number |
87-20-7 |
| 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 |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey |
PMGCQNGBLMMXEW-UHFFFAOYSA-N |
| Molecular Weight |
208.257 g/mol |
| Number of Peaks |
50 |
| RI1 |
1537 |
| RI2 |
1213 |
| RI3 |
1406 |
| RI4 |
1365 |
| SMILES |
Oc1c(C(=O)OCCC(C)C)cccc1 |
| SPLASH |
splash10-00dl-9800000000-6e42605a2acccaa146e5 |
| 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, 2-hydroxy-, 3-methylbutyl ester |
| Wiley ID |
LM_FFNSC3_372 |
