| SpectraBase Spectrum ID |
2BlE5YdTUNb |
| Name |
Neocnidilide (=Sedanolide) |
| CAS Registry Number |
4567-33-3 |
| 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 |
194.130679818 u |
| Formula |
C12H18O2 |
| InChI |
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1 |
| InChIKey |
UPJFTVFLSIQQAV-KOLCDFICSA-N |
| Molecular Weight |
194.274 g/mol |
| Number of Peaks |
44 |
| RI1 |
1722 |
| SMILES |
C1(C=2[C@](CCCC2)([H])[C@@](O1)(CCCC)[H])=O |
| SPLASH |
splash10-0a6r-9400000000-d1adde643e53ba562681 |
| 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(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro- |
| Wiley ID |
LM_FFNSC3_2941 |
