| SpectraBase Spectrum ID |
HzoiAfxIA8B |
| Name |
Pyruvophenone |
| Source of Sample |
SAFC Cat.no. W322601 |
| CAS Registry Number |
579-07-7 |
| 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 |
148.052429496 u |
| Formula |
C9H8O2 |
| InChI |
InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey |
BVQVLAIMHVDZEL-UHFFFAOYSA-N |
| Molecular Weight |
148.161 g/mol |
| Number of Peaks |
49 |
| RI1 |
1169 |
| RI2 |
847 |
| RI3 |
1182 |
| RI4 |
1140 |
| SMILES |
C(C(C)=O)(=O)c1ccccc1 |
| SPLASH |
splash10-0a6r-9600000000-9416c728990f0b311060 |
| 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 |
1,2-Propanedione, 1-phenyl- |
| Wiley ID |
LM_FFNSC3_666 |
