| SpectraBase Compound ID | KxaiUbsdw1f |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-7-8(11)6-12-9-4-2-3-5-10(9)13-7/h2-5,7H,6H2,1H3 |
| InChIKey | DIAYXZJFJBUHIO-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5dVl49sjwU9 |
|---|---|
| Name | 4-Methyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-7-8(11)6-12-9-4-2-3-5-10(9)13-7/h2-5,7H,6H2,1H3 |
| InChIKey | DIAYXZJFJBUHIO-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1(Oc2c(OCC1=O)cccc2)C |
| SPLASH | splash10-0fn9-6900000000-11144fe0377f834503b3 |
| Source of Spectrum | H-90-1259-9 |
| Wiley ID | 1590750 |