| SpectraBase Spectrum ID |
GBCgwM0JDVl |
| Name |
Liguloxide |
| CAS Registry Number |
21764-22-7 |
| 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/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13+,15-/m0/s1 |
| InChIKey |
GXMJXGUEPXEOGR-BGPZULBFSA-N |
| Molecular Weight |
222.372 g/mol |
| Number of Peaks |
50 |
| RI1 |
1547 |
| RI2 |
1224 |
| SMILES |
C1[C@]2(C(O[C@@]3([C@]([C@](C1)(C)[H])([H])CC[C@]3(C)[H])C2)(C)C)[H] |
| SPLASH |
splash10-0a4i-9820000000-c05e58cde8f02e7357f7 |
| 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 |
2H-3,9a-Methanocyclopent[b]oxocin, octahydro-2,2,6,9-tetramethyl-, (3R,6S,6aR,9R,9aS)- |
| Wiley ID |
LM_FFNSC3_1213 |
