| SpectraBase Compound ID | EylIsOUwHl1 |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3/i3D |
| InChIKey | QQZOPKMRPOGIEB-WFVSFCRTSA-N |
| Mol Weight | 101.17 g/mol |
| Molecular Formula | C6H11DO |
| Exact Mass | 101.095092 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7V6lLsCs6YW |
|---|---|
| Name | 5-deuterio-2-hexanone |
| CAS Registry Number | 96455-79-7 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H11DO |
| InChI | InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3/i3D |
| InChIKey | QQZOPKMRPOGIEB-WFVSFCRTSA-N |
| Molecular Weight | 101.167 g/mol |
| SMILES | C(=O)(CCC(C)[D])C |
| SPLASH | splash10-0006-9100000000-64efd0e67cbfa51b2db3 |
| Source of Spectrum | J-50-2563-15 |
| Wiley ID | 1119892 |