| SpectraBase Compound ID | BeXTkAII77l |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-19-15-12-11-14(17(20-2)16(15)18)10-6-9-13-7-4-3-5-8-13/h3-9,11-12,18H,10H2,1-2H3/b9-6+ |
| InChIKey | NLIRIZDPMWYEPR-RMKNXTFCSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3484m2cuFef |
|---|---|
| Name | Isomucronustyrene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-19-15-12-11-14(17(20-2)16(15)18)10-6-9-13-7-4-3-5-8-13/h3-9,11-12,18H,10H2,1-2H3/b9-6+ |
| InChIKey | NLIRIZDPMWYEPR-RMKNXTFCSA-N |
| SMILES | C=1(C(=C(C\C=C\C=2C=CC=CC2)C=CC1OC)OC)O |