| SpectraBase Spectrum ID |
CZkMGaEsDgS |
| Name |
Heptadi-3,5-en-2-one <6-methyl-> |
| CAS Registry Number |
1604-28-0 |
| 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 |
124.088815005 u |
| Formula |
C8H12O |
| InChI |
InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+ |
| InChIKey |
KSKXSFZGARKWOW-GQCTYLIASA-N |
| Molecular Weight |
124.183 g/mol |
| Number of Peaks |
50 |
| RI1 |
1102 |
| RI2 |
777 |
| RI3 |
992 |
| RI4 |
950 |
| RI5 |
1080 |
| SMILES |
CC(\C=C\C=C(C)C)=O |
| SPLASH |
splash10-0a4i-9600000000-d4e1efbd2535fe9e6645 |
| 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 |
3,5-Heptadien-2-one, 6-methyl- |
| Wiley ID |
LM_FFNSC3_1633 |
