| SpectraBase Compound ID | 9WePtaTxiVO |
|---|---|
| InChI | InChI=1S/C21H27NO4/c1-23-18-6-4-5-16(11-18)14-22-10-9-15-12-19(24-2)21(20(13-15)25-3)26-17-7-8-17/h4-6,11-13,17,22H,7-10,14H2,1-3H3 |
| InChIKey | IHCFQMJJSXHQHT-UHFFFAOYSA-N |
| Mol Weight | 357.45 g/mol |
| Molecular Formula | C21H27NO4 |
| Exact Mass | 357.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNNX8EdJwlH |
|---|---|
| Name | cp N-(3-Methoxybenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.194008349 u |
| Formula | C21H27NO4 |
| InChI | InChI=1S/C21H27NO4/c1-23-18-6-4-5-16(11-18)14-22-10-9-15-12-19(24-2)21(20(13-15)25-3)26-17-7-8-17/h4-6,11-13,17,22H,7-10,14H2,1-3H3 |
| InChIKey | IHCFQMJJSXHQHT-UHFFFAOYSA-N |
| Molecular Weight | 357.450 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CCNCC=1C=C(C=CC1)OC)OC)OC1CC1 |