| SpectraBase Compound ID | 6M7jeQ4Ddek |
|---|---|
| InChI | InChI=1S/C15H22O/c1-9-5-6-15-10(2)7-13(16)12(8-11(9)15)14(15,3)4/h10,12H,5-8H2,1-4H3 |
| InChIKey | NHEGQUKGIDBSAX-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BUAxtswPn7F |
|---|---|
| Name | Cyperen-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-9-5-6-15-10(2)7-13(16)12(8-11(9)15)14(15,3)4/h10,12H,5-8H2,1-4H3 |
| InChIKey | NHEGQUKGIDBSAX-UHFFFAOYSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C=1(CCC23C1CC(C3(C)C)C(CC2C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840284 |