| SpectraBase Compound ID | AflRavy3paj |
|---|---|
| InChI | InChI=1S/C12H20O/c1-5-6-7-12(4)8-11(13)9(2)10(12)3/h5-8H2,1-4H3 |
| InChIKey | AAYZCMFKIFIDID-UHFFFAOYSA-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 | 2f0SLRzc91K |
|---|---|
| Name | 2-Cyclopenten-1-one, 4-butyl-2,3,4-trimethyl- |
| 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/c1-5-6-7-12(4)8-11(13)9(2)10(12)3/h5-8H2,1-4H3 |
| InChIKey | AAYZCMFKIFIDID-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(=C(C(=O)CC1(CCCC)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886197 |