| SpectraBase Spectrum ID |
4kUQVxih8OQ |
| Name |
Grandiflorene |
| CAS Registry Number |
50861-53-5 |
| 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 |
314.151809184 u |
| Formula |
C19H22O4 |
| InChI |
InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,14H,10-11H2,1-4H3 |
| InChIKey |
HDCYLHJYUHYIQL-UHFFFAOYSA-N |
| Molecular Weight |
314.381 g/mol |
| Number of Peaks |
50 |
| RI1 |
2177 |
| SMILES |
C1(C(C(C(C(C1C(CCc1ccccc1)=O)=O)(C)C)=O)(C)C)=O |
| SPLASH |
splash10-0006-9220000000-787b81ff2dbc4eff04d2 |
| 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 |
1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(1-oxo-3-phenylpropyl)- |
| Wiley ID |
LM_FFNSC3_2358 |
