| SpectraBase Compound ID | 9mYZFeSDgxU |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h2,4-6H2,1,3H3 |
| InChIKey | LXSZBHUGHMTGQC-UHFFFAOYSA-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 | BYdJ9MYGKyT |
|---|---|
| Name | 1-Hepten-3-one, 2-methyl- |
| CAS Registry Number | 5888-86-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-5-6-8(9)7(2)3/h2,4-6H2,1,3H3 |
| InChIKey | LXSZBHUGHMTGQC-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(C(=O)CCCC)(=C)C |
| SPLASH | splash10-0006-9100000000-e75be7c5ff3ca0cf0796 |
| Source of Spectrum | F-46-4001-12 |
| Synonyms | 2-Methyl-1-hepten-3-one 2-Methylhept-1-en-3-one |
| Wiley ID | 1130265 |