| SpectraBase Spectrum ID |
4SdGrLWTOT8 |
| Name |
Angustione |
| CAS Registry Number |
4717-67-3 |
| 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 |
194.094294308 u |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-6-5-11(3,4)10(14)8(7(2)12)9(6)13/h5,8H,1-4H3 |
| InChIKey |
JQUIHZWJQUUCHZ-UHFFFAOYSA-N |
| Molecular Weight |
194.230 g/mol |
| Number of Peaks |
50 |
| RI1 |
1387 |
| SMILES |
C1(C(C(C(C(=C1)C)=O)C(=O)C)=O)(C)C |
| SPLASH |
splash10-0006-9500000000-ae4a9f6203560239d74d |
| 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 |
4-Cyclohexene-1,3-dione, 2-acetyl-4,6,6-trimethyl- |
| Wiley ID |
LM_FFNSC3_2951 |
