![7,8-Dihydro-5H-benzo[7]annulene-5,9(6H)-dione](/api/spectrum/E5ZDeGVnQX2/structure.png?h=300&w=458 "7,8-Dihydro-5H-benzo[7]annulene-5,9(6H)-dione")
| SpectraBase Compound ID | Acc3sWd0kOf |
|---|---|
| InChI | InChI=1S/C11H10O2/c12-10-6-3-7-11(13)9-5-2-1-4-8(9)10/h1-2,4-5H,3,6-7H2 |
| InChIKey | HDTWXKYZOSMJTP-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E5ZDeGVnQX2 |
|---|---|
| Name | 7,8-Dihydro-5H-benzo[7]annulene-5,9(6H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c12-10-6-3-7-11(13)9-5-2-1-4-8(9)10/h1-2,4-5H,3,6-7H2 |
| InChIKey | HDTWXKYZOSMJTP-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C12=C(C(CCCC2=O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81287 |