| SpectraBase Spectrum ID |
7pZ9Trv9Sbc |
| Name |
Isoascaridole |
| CAS Registry Number |
1619-26-7 |
| 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 |
168.115029753 u |
| Formula |
C10H16O2 |
| InChI |
InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3/t7-,8+,9+,10+/m0/s1 |
| InChIKey |
LEZWCCRTFNBOBU-SGIHWFKDSA-N |
| Molecular Weight |
168.236 g/mol |
| Number of Peaks |
50 |
| RI1 |
1306 |
| RI2 |
984 |
| RI3 |
1222 |
| RI4 |
1178 |
| SMILES |
[C@@]12(CC[C@]3([C@@]([C@@]2(O1)[H])(O3)[H])C(C)C)C |
| SPLASH |
splash10-0006-9000000000-08d394db82ac8a779b3d |
| 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 |
3,8-Dioxatricyclo[5.1.0.02,4]octane, 4-methyl-7-(1-methylethyl)-, (1alpha ,2alpha ,4alpha ,7alpha)- |
| Wiley ID |
LM_FFNSC3_1482 |
