| SpectraBase Compound ID | GXtMJSPpR4K |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-8-3-2-4-9(7-8)10-5-6-13-11(10)12/h8H,2-7H2,1H3/b10-9- |
| InChIKey | SRAWZRDYKAYADQ-KTKRTIGZSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6PM72fdfEte |
|---|---|
| Name | 2-(3'-Methylcyclohexylidene)butyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-8-3-2-4-9(7-8)10-5-6-13-11(10)12/h8H,2-7H2,1H3/b10-9- |
| InChIKey | SRAWZRDYKAYADQ-KTKRTIGZSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1\C(=C/2C(OCC2)=O)CCCC1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802056 |