| SpectraBase Compound ID | 2a2GfnIGLgZ |
|---|---|
| InChI | InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-19-16-15-18-21(25-2)22(19)23(24)26-20/h15-16,18,20H,3-14,17H2,1-2H3 |
| InChIKey | PTWYVJKLACDNEO-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C23H36O3 |
| Exact Mass | 360.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DXPHYz73pgB |
|---|---|
| Name | 7-Methoxy-3-tetradecanyl-2-oxaindan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.266445016 u |
| Formula | C23H36O3 |
| InChI | InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-19-16-15-18-21(25-2)22(19)23(24)26-20/h15-16,18,20H,3-14,17H2,1-2H3 |
| InChIKey | PTWYVJKLACDNEO-UHFFFAOYSA-N |
| Molecular Weight | 360.538 g/mol |
| SMILES | C1(OC(CCCCCCCCCCCCCC)C2=C1C(OC)=CC=C2)=O |