| SpectraBase Spectrum ID |
FsXQybrg0yZ |
| Name |
Hex-3-ene <2-oxo-, 5-methyl-> |
| CAS Registry Number |
5166-53-0 |
| 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 |
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-SNAWJCMRSA-N |
| Molecular Weight |
112.172 g/mol |
| Number of Peaks |
50 |
| RI1 |
894 |
| RI2 |
560 |
| RI3 |
655 |
| RI4 |
619 |
| SMILES |
CC(\C=C\C(C)C)=O |
| SPLASH |
splash10-0006-9000000000-e7c3a86e3b4cc6ba8106 |
| 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- |
| Wiley ID |
LM_FFNSC3_1390 |
