| SpectraBase Compound ID | 3GxALbOSpcf |
|---|---|
| InChI | InChI=1S/C15H12/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3 |
| InChIKey | CREZZKUDBMAYFS-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C15H12 |
| Exact Mass | 192.0939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkULQD5Rlu7 |
|---|---|
| Name | (3-Methylphenyl)phenylacetylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.093900386 u |
| Formula | C15H12 |
| InChI | InChI=1S/C15H12/c1-13-6-5-9-15(12-13)11-10-14-7-3-2-4-8-14/h2-9,12H,1H3 |
| InChIKey | CREZZKUDBMAYFS-UHFFFAOYSA-N |
| Molecular Weight | 192.261 g/mol |
| SMILES | C(#CC=1C=C(C=CC1)C)C=1C=CC=CC1 |