| SpectraBase Compound ID | Gs1Oo08HSDU |
|---|---|
| InChI | InChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h5H2,1-4H3/b7-6+ |
| InChIKey | WRHRFVOAEDXVPC-VOTSOKGWSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IWIE1y7HEq7 |
|---|---|
| Name | (3E)-3,4-Dimethyl-3-hexen-2-one |
| Alternate Name(s) | (3Z)-3,4-Dimethyl-3-hexen-2-one (E)-3,4-dimethyl-3-hexen-2-one (E)-3,4-dimethylhex-3-en-2-one 3-Hexen-2-one, 3,4-dimethyl-, (Z)- 3,4-Dimethyl-3-hexen-2-one 3,4-Dimethyl-3-hexen-2-one (cis) 3-Hexen-2-one, 3,4-dimethyl-, (E)- 3,4-Dimethylhex-3-en-2-one 3-Hexen-2-one, 3,4-dimethyl- EINECS 216-656-8 |
| CAS Registry Number | 20685-46-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h5H2,1-4H3/b7-6+ |
| InChIKey | WRHRFVOAEDXVPC-VOTSOKGWSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | CC(=O)\C(C)=C/(C)CC |
| SPLASH | splash10-052f-9000000000-3942c432218b418bf260 |
| Source of Spectrum | AD-0-4730-0 |
| Wiley ID | 4861 |