| SpectraBase Spectrum ID |
LVtXmOeoTN |
| Name |
Methyl-(3Z)-hexen-2-one <5-> |
| CAS Registry Number |
1669-43-8 |
| 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 |
112.088815005 u |
| Formula |
C7H12O |
| InChI |
InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4- |
| InChIKey |
IYMKNYVCXUEFJE-PLNGDYQASA-N |
| Molecular Weight |
112.172 g/mol |
| Number of Peaks |
39 |
| RI1 |
867 |
| SMILES |
CC(\C=C/C(C)C)=O |
| SPLASH |
splash10-0006-9100000000-887ed4fdd1f0c9e532b1 |
| 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-Hexen-2-one, 5-methyl-, (Z)- |
| Wiley ID |
LM_FFNSC3_2303 |
