| SpectraBase Compound ID | 4VgQDKAgsu4 |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-8-2-3-9-4-5-10(12)7-13-11(9)6-8/h2-3,6H,4-5,7H2,1H3 |
| InChIKey | OCOZSICSBQZQSI-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7J0XW0uoVmE |
|---|---|
| Name | 8-Methyl-4,5-dihydro-1-benzoxepin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-8-2-3-9-4-5-10(12)7-13-11(9)6-8/h2-3,6H,4-5,7H2,1H3 |
| InChIKey | OCOZSICSBQZQSI-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C1OC=2C(CCC1=O)=CC=C(C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934194 |