| SpectraBase Spectrum ID |
GX07jzrL2PY |
| Name |
3-Methylheptan-4-one |
| CAS Registry Number |
15726-15-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
128.120115134 u |
| Formula |
C8H16O |
| InChI |
InChI=1S/C8H16O/c1-4-6-8(9)7(3)5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
NHIMSNHOEAVUKE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
128.215 g/mol |
| Nominal Mass |
128 u |
| Quality |
978 |
| Retention Index |
881 |
| SMILES |
C(C(CC)C)(CCC)=O |
| SPLASH |
splash10-0596-9000000000-38c7701082cf2bcd5f81 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Methyl-4-heptanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012811 |
