| SpectraBase Compound ID | HD0P1inBtpI |
|---|---|
| InChI | InChI=1S/C16H22O/c1-12-7-9-15(13(2)11-12)16(17)10-8-14-5-3-4-6-14/h7,9,11,14H,3-6,8,10H2,1-2H3 |
| InChIKey | HBHSYTBGQDBFRT-UHFFFAOYSA-N |
| Mol Weight | 230.35 g/mol |
| Molecular Formula | C16H22O |
| Exact Mass | 230.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dq2fnwrQ2Ln |
|---|---|
| Name | 1-Propanone, 3-cyclopentyl-1-(2,4-dimethylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.167065327 u |
| Formula | C16H22O |
| InChI | InChI=1S/C16H22O/c1-12-7-9-15(13(2)11-12)16(17)10-8-14-5-3-4-6-14/h7,9,11,14H,3-6,8,10H2,1-2H3 |
| InChIKey | HBHSYTBGQDBFRT-UHFFFAOYSA-N |
| Molecular Weight | 230.351 g/mol |
| SMILES | C(C(=O)C1=C(C)C=C(C=C1)C)CC1CCCC1 |