| SpectraBase Spectrum ID |
5VxNi06iLMt |
| Name |
Thymol acetate |
| CAS Registry Number |
528-79-0 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| InChI |
InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3 |
| InChIKey |
WFMIUXMJJBBOGJ-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Number of Peaks |
50 |
| RI1 |
1348 |
| RI2 |
1023 |
| SMILES |
C(C)(C)c1c(OC(C)=O)cc(C)cc1 |
| SPLASH |
splash10-000i-3900000000-05c91abcc575ee3816bd |
| 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 |
Phenol, 5-methyl-2-(1-methylethyl)-, 1-acetate |
| Wiley ID |
LM_FFNSC3_2434 |
