| SpectraBase Spectrum ID |
Jcr1ATWRwDr |
| Name |
Kessane |
| CAS Registry Number |
3321-66-2 |
| 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 |
222.198365456 u |
| Formula |
C15H26O |
| InChI |
InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1 |
| InChIKey |
QRVMFXFSGYDNJI-HVNMYJMUSA-N |
| Molecular Weight |
222.372 g/mol |
| Number of Peaks |
50 |
| RI1 |
1533 |
| RI2 |
1209 |
| SMILES |
C1(O[C@@]2([C@]3([C@](C[C@]1(CC2)[H])([C@@](CC3)(C)[H])[H])[H])C)(C)C |
| SPLASH |
splash10-0a6u-9600000000-8e8e976afee9f0e1691f |
| 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 |
1,4-Ethano-1H-cyclopent[c]oxepin, octahydro-1,3,3,6-tetramethyl-, (1S,4R,5aR,6R,8aR)- |
| Wiley ID |
LM_FFNSC3_1195 |
