| SpectraBase Spectrum ID |
ARjt5Js2iPM |
| Name |
Ethyl alpha-safranate |
| CAS Registry Number |
35044-57-6 |
| 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 |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h6-8,10H,5H2,1-4H3 |
| InChIKey |
ZANQMOGWQBCGBN-UHFFFAOYSA-N |
| Molecular Weight |
194.274 g/mol |
| Number of Peaks |
50 |
| RI1 |
1284 |
| RI2 |
961 |
| RI3 |
1042 |
| RI4 |
998 |
| RI5 |
1266 |
| SMILES |
CC=1C(C(C=CC1)(C)C)C(=O)OCC |
| SPLASH |
splash10-0ab9-3900000000-8932fc32fec756d2e38a |
| 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 |
2,4-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester |
| Wiley ID |
LM_FFNSC3_3149 |
