| SpectraBase Spectrum ID |
381BY9LUZ5Y |
| Name |
2-Heptanone |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 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 |
| Instrument Name |
Shimadzu 17A-QP5001 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jsfa.2386 |
| Molecular Weight |
114.188 g/mol |
| Number of Peaks |
1 |
| SMILES |
CCCCCC(C)=O |
| SPLASH |
splash10-0006-9000000000-91e564ca9ecf49ef899a |
| Source of Spectrum |
SFA-86-609-2-Heptanone (DOI: 10.1002/jsfa.2386) |
| Wiley ID |
1840224 |
