| SpectraBase Compound ID | KC1yrxqbu1M |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3 |
| InChIKey | IYBOGQYZTIIPNI-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 | 8no6AT1kOlc |
|---|---|
| Name | 3-Methyl-2-oxepanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-6-4-2-3-5-9-7(6)8/h6H,2-5H2,1H3 |
| InChIKey | IYBOGQYZTIIPNI-UHFFFAOYSA-N |
| Molecular Weight | 128.171 g/mol |
| SMILES | C1(OCCCCC1C)=O |
| SPLASH | splash10-0006-9000000000-caee94a30e557e48429d |
| Source of Spectrum | AJ-56-2031-0 |
| Synonyms | 3-Methyloxepan-2-one |
| Wiley ID | 1131383 |