| SpectraBase Spectrum ID |
1TljbAa3JE2 |
| Name |
2-PENTANONE, 4-METHYL- |
| 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 |
100.088815005 u |
| Formula |
C6H12O |
| InChI |
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
| InChIKey |
NTIZESTWPVYFNL-UHFFFAOYSA-N |
| Molecular Weight |
100.161 g/mol |
| Nominal Mass |
100 u |
| Number of Peaks |
18 |
| SMILES |
CC(CC(C)C)=O |
| SPLASH |
splash10-0006-9000000000-92fbb549575ecdd0233c |
| Source of Spectrum |
Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Wiley ID |
MVX000336 |
