| SpectraBase Compound ID | I2cCLXJQUV4 |
|---|---|
| InChI | InChI=1S/C18H22/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,11-12,14-16H,8-10,13H2,1H3 |
| InChIKey | VYCJGZZMZFJPAZ-UHFFFAOYSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C18H22 |
| Exact Mass | 238.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5EuI2q5eiY |
|---|---|
| Name | (1-Methyl-5-phenyl-pentyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.172150708 u |
| Formula | C18H22 |
| InChI | InChI=1S/C18H22/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,11-12,14-16H,8-10,13H2,1H3 |
| InChIKey | VYCJGZZMZFJPAZ-UHFFFAOYSA-N |
| Molecular Weight | 238.374 g/mol |
| SMILES | C1(C(CCCCC=2C=CC=CC2)C)=CC=CC=C1 |