| SpectraBase Spectrum ID |
FEbLuI7P0pE |
| Name |
Intricenyne |
| CAS Registry Number |
68252-61-9 |
| 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 |
330.038605963 u |
| Formula |
C15H20BrClO |
| InChI |
InChI=1S/C15H20BrClO/c1-3-5-6-10-13(17)15-11-8-7-9-12(16)14(4-2)18-15/h1,5-8,12-15H,4,9-11H2,2H3/b6-5-,8-7-/t12-,13+,14+,15+/m0/s1 |
| InChIKey |
WMDYCUMSABQCMS-GPLNWUCESA-N |
| Molecular Weight |
331.681 g/mol |
| Number of Peaks |
50 |
| RI1 |
1984 |
| RI2 |
1651 |
| SMILES |
[C@@]1(O[C@@]([C@](C\C=C/C1)(Br)[H])(CC)[H])([C@](Cl)(C\C=C/C#C)[H])[H] |
| SPLASH |
splash10-0690-9300000000-6efd8bbe45f853037417 |
| 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-Oxocin, 3-bromo-8-[(1R,3Z)-1-chloro-3-hexen-5-ynyl]-2-ethyl-3,4,7,8-tetrahydro-, (2R,3S,8R)- (9CI) |
| Wiley ID |
LM_FFNSC3_1987 |
