| SpectraBase Spectrum ID |
GEqJTD1NW5b |
| Name |
Heptan-2-one |
| CAS Registry Number |
110-43-0 |
| 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 |
114.104465070 u |
| Formula |
C7H14O |
| InChI |
InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| InChIKey |
CATSNJVOTSVZJV-UHFFFAOYSA-N |
| Molecular Weight |
114.188 g/mol |
| Number of Peaks |
50 |
| RI1 |
898 |
| RI2 |
564 |
| RI3 |
597 |
| RI4 |
547 |
| SMILES |
CC(CCCCC)=O |
| SPLASH |
splash10-052f-9000000000-24750a22c28481b3a632 |
| 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 |
2-Heptanone |
| Wiley ID |
LM_FFNSC3_1021 |
