| SpectraBase Compound ID | 2FpsfIiObDt |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-8-6-10(12)9-4-2-3-5-11(9)13-7-8/h2-6H,7H2,1H3 |
| InChIKey | ZSLGPHPJURMFNE-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AqvrTTfaZyo |
|---|---|
| Name | 3-Methyl-2H-1-benzoxepin-5-one |
| CAS Registry Number | 60505-35-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-8-6-10(12)9-4-2-3-5-11(9)13-7-8/h2-6H,7H2,1H3 |
| InChIKey | ZSLGPHPJURMFNE-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C1(c2c(OCC(=C1)C)cccc2)=O |
| SPLASH | splash10-00e9-0900000000-d7393e4f7da631794675 |
| Source of Spectrum | H-59-685-19 |
| Wiley ID | 1170838 |