| SpectraBase Compound ID | IzWGBxk99FG |
|---|---|
| InChI | InChI=1S/C7H14O/c1-4-7(5-2)6(3)8/h7H,4-5H2,1-3H3/i7+1 |
| InChIKey | GSNKRSKIWFBWEG-CDYZYAPPSA-N |
| Mol Weight | 115.18 g/mol |
| Molecular Formula | C613CH14O |
| Exact Mass | 115.10782 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2dMR8yFtKBH |
|---|---|
| Name | 3-Ethyl-2-pentanone-3-13C |
| Comments | Less than 3 mono-isotopic peaks; Original formula: C6[13C]H14O |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-4-7(5-2)6(3)8/h7H,4-5H2,1-3H3/i7+1 |
| InChIKey | GSNKRSKIWFBWEG-CDYZYAPPSA-N |
| Molecular Weight | 115.180 g/mol |
| SMILES | [13CH](C(=O)C)(CC)CC |
| SPLASH | splash10-00di-9000000000-0259b489c92ef523b32c |
| Source of Spectrum | O-20-404-0 |
| Wiley ID | 1124905 |