| SpectraBase Spectrum ID |
40pmC5q0SYM |
| Name |
Oxophorone |
| Source of Sample |
SAFC Cat.no. W342106 |
| CAS Registry Number |
1125-21-9 |
| 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 |
152.083729624 u |
| Formula |
C9H12O2 |
| InChI |
InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
| InChIKey |
AYJXHIDNNLJQDT-UHFFFAOYSA-N |
| Molecular Weight |
152.193 g/mol |
| Number of Peaks |
50 |
| RI1 |
1148 |
| RI2 |
825 |
| SMILES |
C=1C(CC(C(C1C)=O)(C)C)=O |
| SPLASH |
splash10-014m-9100000000-6a2934ccb7e57017ebaf |
| 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 |
2-Cyclohexene-1,4-dione, 2,6,6-trimethyl- |
| Wiley ID |
LM_FFNSC3_773 |
