| SpectraBase Compound ID | 2XHTC1VMT4S |
|---|---|
| InChI | InChI=1S/C22H31NO4/c1-6-10-27-22-20(25-4)13-18(14-21(22)26-5)11-16(2)23-15-17-8-7-9-19(12-17)24-3/h7-9,12-14,16,23H,6,10-11,15H2,1-5H3 |
| InChIKey | VUSICCGIQZBPJH-UHFFFAOYSA-N |
| Mol Weight | 373.49 g/mol |
| Molecular Formula | C22H31NO4 |
| Exact Mass | 373.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7lehCsj59PC |
|---|---|
| Name | 3C-p N-(3-Methoxybenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.225308478 u |
| Formula | C22H31NO4 |
| InChI | InChI=1S/C22H31NO4/c1-6-10-27-22-20(25-4)13-18(14-21(22)26-5)11-16(2)23-15-17-8-7-9-19(12-17)24-3/h7-9,12-14,16,23H,6,10-11,15H2,1-5H3 |
| InChIKey | VUSICCGIQZBPJH-UHFFFAOYSA-N |
| Molecular Weight | 373.493 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C=C(C=CC1)OC)C)OC)OCCC |