| SpectraBase Compound ID | Bemf1jdGlcZ |
|---|---|
| InChI | InChI=1S/C12H12O3/c1-2-14-10-7-9-5-3-4-6-11(9)15-12(13)8-10/h3-6,8H,2,7H2,1H3 |
| InChIKey | OEFXMXAQWZPQHZ-UHFFFAOYSA-N |
| Mol Weight | 204.22 g/mol |
| Molecular Formula | C12H12O3 |
| Exact Mass | 204.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5db6AFcgr1W |
|---|---|
| Name | 4-ethoxy-5H-1-benzoxepin-2-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H12O3 |
| InChI | InChI=1S/C12H12O3/c1-2-14-10-7-9-5-3-4-6-11(9)15-12(13)8-10/h3-6,8H,2,7H2,1H3 |
| InChIKey | OEFXMXAQWZPQHZ-UHFFFAOYSA-N |
| Molecular Weight | 204.225 g/mol |
| SMILES | C=1C(Oc2ccccc2CC1OCC)=O |
| SPLASH | splash10-0f89-0980000000-49dd3237a3499923fb0a |
| Source of Spectrum | PS-0-2802-24 |
| Wiley ID | 786798 |