| SpectraBase Spectrum ID |
4bWGGKhJNgk |
| Name |
Thesaron, trans- |
| CAS Registry Number |
22471-55-2 |
| 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 |
198.161979946 u |
| Formula |
C12H22O2 |
| InChI |
InChI=1S/C12H22O2/c1-5-14-11(13)10-9(2)7-6-8-12(10,3)4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1 |
| InChIKey |
TUEUDXZEBRMJEV-UWVGGRQHSA-N |
| Molecular Weight |
198.306 g/mol |
| Number of Peaks |
50 |
| RI1 |
1268 |
| RI2 |
946 |
| RI3 |
901 |
| RI4 |
856 |
| RI5 |
1242 |
| SMILES |
CC1([C@@]([C@](CCC1)(C)[H])(C(=O)OCC)[H])C |
| SPLASH |
splash10-0rkc-9600000000-023c79e5d5fda50a9ba1 |
| 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 |
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel- |
| Wiley ID |
LM_FFNSC3_3290 |
