| SpectraBase Compound ID | 2YwYA6Qn0ws |
|---|---|
| InChI | InChI=1S/C9H16O/c1-6-9(4,5)7(2)8(3)10/h6-7H,1H2,2-5H3 |
| InChIKey | BNVIKAHIWGIGDR-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BbAfUGXFkzo |
|---|---|
| Name | 5-Hexen-2-one, 3,4,4-trimethyl- |
| CAS Registry Number | 54678-05-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-6-9(4,5)7(2)8(3)10/h6-7H,1H2,2-5H3 |
| InChIKey | BNVIKAHIWGIGDR-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(C(C(=O)C)C)(C=C)(C)C |
| SPLASH | splash10-00kf-9000000000-6a8f389d867fd02bccfe |
| Source of Spectrum | J-40-1467-0 |
| Synonyms | 3,4,4-Trimethyl-5-hexen-2-one |
| Wiley ID | 1139628 |