| SpectraBase Compound ID | GCn5In2pXzi |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-13(2,3)9-4-5-11-12(6-9)16-8-10(14)7-15-11/h4-6H,7-8H2,1-3H3 |
| InChIKey | VFQHMVHBTUURKJ-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JPLxFMXE6Fs |
|---|---|
| Name | 7-tert-Butyl-1,5-benzodioxepin-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-13(2,3)9-4-5-11-12(6-9)16-8-10(14)7-15-11/h4-6H,7-8H2,1-3H3 |
| InChIKey | VFQHMVHBTUURKJ-UHFFFAOYSA-N |
| Molecular Weight | 220.268 g/mol |
| SMILES | C1Oc2c(OCC1=O)cc(cc2)C(C)(C)C |
| SPLASH | splash10-0a4i-1190000000-48835b4ecf57b22de2ee |
| Source of Spectrum | H-90-1025-17 |
| Wiley ID | 1590700 |