| SpectraBase Compound ID | L4XBQYq7LYl |
|---|---|
| InChI | InChI=1S/C21H29NO4/c1-6-22(15-17-9-7-8-10-18(17)23-2)12-11-16-13-19(24-3)21(26-5)20(14-16)25-4/h7-10,13-14H,6,11-12,15H2,1-5H3 |
| InChIKey | PBWKTJNBZPELHR-UHFFFAOYSA-N |
| Mol Weight | 359.47 g/mol |
| Molecular Formula | C21H29NO4 |
| Exact Mass | 359.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10uEuwk9yVo |
|---|---|
| Name | m-omb et |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.209658414 u |
| Formula | C21H29NO4 |
| InChI | InChI=1S/C21H29NO4/c1-6-22(15-17-9-7-8-10-18(17)23-2)12-11-16-13-19(24-3)21(26-5)20(14-16)25-4/h7-10,13-14H,6,11-12,15H2,1-5H3 |
| InChIKey | PBWKTJNBZPELHR-UHFFFAOYSA-N |
| Molecular Weight | 359.466 g/mol |
| SMILES | C1(=C(C(=CC(=C1)CCN(CC=1C(=CC=CC1)OC)CC)OC)OC)OC |