| SpectraBase Compound ID | Iej4gT59VXt |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-6-2-3-7(8)9-5-4-6/h6H,2-5H2,1H3 |
| InChIKey | VNXMFQWTDCWMDQ-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FcDw09EWh5N |
|---|---|
| Name | 2-Oxepanone, 5-methyl- |
| CAS Registry Number | 2549-42-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-6-2-3-7(8)9-5-4-6/h6H,2-5H2,1H3 |
| InChIKey | VNXMFQWTDCWMDQ-UHFFFAOYSA-N |
| Molecular Weight | 128.171 g/mol |
| SMILES | C1(OCCC(CC1)C)=O |
| SPLASH | splash10-0a4i-9000000000-92ae822f494782acba56 |
| Source of Spectrum | F-42-2841-22 |
| Synonyms | 5-Methyl-2-oxepanone 5-Methyloxepan-2-one |
| Wiley ID | 1131351 |