| SpectraBase Compound ID | GNkweK5m1BI |
|---|---|
| InChI | InChI=1S/C16H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16(13)17/h1-12H2 |
| InChIKey | JGSOXIYSZIVUMB-UHFFFAOYSA-N |
| Mol Weight | 232.37 g/mol |
| Molecular Formula | C16H24O |
| Exact Mass | 232.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DklgmphRYuO |
|---|---|
| Name | 1H-Cyclopentacyclododecen-1-one, 2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-2-methylene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.182715392 u |
| Formula | C16H24O |
| InChI | InChI=1S/C16H24O/c1-13-12-14-10-8-6-4-2-3-5-7-9-11-15(14)16(13)17/h1-12H2 |
| InChIKey | JGSOXIYSZIVUMB-UHFFFAOYSA-N |
| Molecular Weight | 232.367 g/mol |
| SMILES | C1=2C(C(=C)CC2CCCCCCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933553 |