| SpectraBase Spectrum ID |
I5gEdhuAvdy |
| Name |
Oct-3-en-2-one |
| CAS Registry Number |
18402-82-9 |
| 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 |
126.104465070 u |
| Formula |
C8H14O |
| InChI |
InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+ |
| InChIKey |
ZCFOBLITZWHNNC-VOTSOKGWSA-N |
| Molecular Weight |
126.199 g/mol |
| Number of Peaks |
50 |
| RI1 |
1047 |
| RI2 |
1055 |
| RI3 |
770 |
| RI4 |
816 |
| SMILES |
CC(\C=C\CCCC)=O |
| SPLASH |
splash10-0a4l-9100000000-3ecbaf14ff2242344c25 |
| 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-Octen-2-one |
| Wiley ID |
LM_FFNSC3_1941 |
