![Benzene, 1-[(4-chlorophenyl)ethynyl]-2-methoxy-](/api/spectrum/Bgzm2l1EAVR/structure.png?h=300&w=458 "Benzene, 1-[(4-chlorophenyl)ethynyl]-2-methoxy-")
| SpectraBase Compound ID | HB0vUyFzJtr |
|---|---|
| InChI | InChI=1S/C15H11ClO/c1-17-15-5-3-2-4-13(15)9-6-12-7-10-14(16)11-8-12/h2-5,7-8,10-11H,1H3 |
| InChIKey | MHNUWTKWSOTAIQ-UHFFFAOYSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C15H11ClO |
| Exact Mass | 242.049843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bgzm2l1EAVR |
|---|---|
| Name | Benzene, 1-[(4-chlorophenyl)ethynyl]-2-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.049842673 u |
| Formula | C15H11ClO |
| InChI | InChI=1S/C15H11ClO/c1-17-15-5-3-2-4-13(15)9-6-12-7-10-14(16)11-8-12/h2-5,7-8,10-11H,1H3 |
| InChIKey | MHNUWTKWSOTAIQ-UHFFFAOYSA-N |
| Molecular Weight | 242.705 g/mol |
| SMILES | C(#CC1=CC=C(C=C1)Cl)C=1C(OC)=CC=CC1 |