| SpectraBase Spectrum ID |
Gv5qG34pYAO |
| Name |
Angustione |
| CAS Registry Number |
641-11-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
196.109944372 u |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-6-5-11(3,4)10(14)8(7(2)12)9(6)13/h6,8H,5H2,1-4H3 |
| InChIKey |
NZMPUCGPIWVSMA-UHFFFAOYSA-N |
| Molecular Weight |
196.246 g/mol |
| Number of Peaks |
50 |
| RI1 |
1375 |
| SMILES |
CC1C(C(C(C(C1)(C)C)=O)C(C)=O)=O |
| SPLASH |
splash10-0006-9700000000-cc5f0c33ec7d585e66d5 |
| 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 |
1,3-Cyclohexanedione, 2-acetyl-4,4,6-trimethyl- |
| Wiley ID |
LM_FFNSC3_2420 |
