| SpectraBase Compound ID | ESbUMXq7Ujp |
|---|---|
| InChI | InChI=1S/C18H18/c1-3-6-15-13(2)9-11-18-16-8-5-4-7-14(16)10-12-17(15)18/h4-5,7-12H,3,6H2,1-2H3 |
| InChIKey | QODDOWAOFYXESD-UHFFFAOYSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C18H18 |
| Exact Mass | 234.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwfXfoEU33b |
|---|---|
| Name | Methyl-N-propyl-phenanthrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.140850580 u |
| Formula | C18H18 |
| InChI | InChI=1S/C18H18/c1-3-6-15-13(2)9-11-18-16-8-5-4-7-14(16)10-12-17(15)18/h4-5,7-12H,3,6H2,1-2H3 |
| InChIKey | QODDOWAOFYXESD-UHFFFAOYSA-N |
| Molecular Weight | 234.342 g/mol |
| SMILES | C=12C(C3=CC=CC=C3C=C2)=CC=C(C1CCC)C |