| SpectraBase Compound ID | ABonQtrhVTv |
|---|---|
| InChI | InChI=1S/C21H35NO3/c1-5-7-12-22(13-8-6-2)14-11-17-15-19(23-3)21(20(16-17)24-4)25-18-9-10-18/h15-16,18H,5-14H2,1-4H3 |
| InChIKey | YFWRSRHZOPLINM-UHFFFAOYSA-N |
| Mol Weight | 349.5 g/mol |
| Molecular Formula | C21H35NO3 |
| Exact Mass | 349.261694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46x2onDHOB1 |
|---|---|
| Name | cp 2bu |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.261693988 u |
| Formula | C21H35NO3 |
| InChI | InChI=1S/C21H35NO3/c1-5-7-12-22(13-8-6-2)14-11-17-15-19(23-3)21(20(16-17)24-4)25-18-9-10-18/h15-16,18H,5-14H2,1-4H3 |
| InChIKey | YFWRSRHZOPLINM-UHFFFAOYSA-N |
| Molecular Weight | 349.515 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCN(CCCC)CCCC)OC)OC1CC1 |