| SpectraBase Spectrum ID |
CX2PGrTGTh8 |
| Name |
Isopropoxyethyl Salicylate |
| CAS Registry Number |
79915-74-5 |
| 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/c1-8(2)15-9(3)16-12(14)10-6-4-5-7-11(10)13/h4-9,13H,1-3H3 |
| InChIKey |
XAWHATNJBOHKPK-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| Number of Peaks |
50 |
| RI1 |
1603 |
| RI2 |
1282 |
| RI3 |
1583 |
| RI4 |
1542 |
| RI5 |
1577 |
| SMILES |
Oc1c(C(=O)OC(C)OC(C)C)cccc1 |
| SPLASH |
splash10-00di-4900000000-8098a946b42ed8dede01 |
| 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-, 2-(1-methylethoxy)ethyl ester |
| Wiley ID |
LM_FFNSC3_3286 |
