| SpectraBase Spectrum ID |
LiNSV74Tsny |
| Name |
Octan-3-one |
| Source of Sample |
SAFC Cat.no. W280305 |
| CAS Registry Number |
106-68-3 |
| 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 |
128.120115134 u |
| Formula |
C8H16O |
| InChI |
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 |
| InChIKey |
RHLVCLIPMVJYKS-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| Number of Peaks |
50 |
| RI1 |
986 |
| RI2 |
658 |
| RI3 |
671 |
| RI4 |
628 |
| SMILES |
CCC(CCCCC)=O |
| SPLASH |
splash10-006x-9000000000-1c1c200c938530620322 |
| 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-Octanone |
| Wiley ID |
LM_FFNSC3_589 |
