| SpectraBase Compound ID | 8lsigh0UgBW |
|---|---|
| InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8+ |
| InChIKey | PBNMXJOZTAVFCR-DHZHZOJOSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56JC9xSrUib |
|---|---|
| Name | 2-Heptylidenecyclopentanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h8H,2-7,9-10H2,1H3/b11-8+ |
| InChIKey | PBNMXJOZTAVFCR-DHZHZOJOSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(\C(CCC1)=C\CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977541 |