| SpectraBase Compound ID | I4k2eD68Ca0 |
|---|---|
| InChI | InChI=1S/C18H19NO3/c1-12(2)14-4-6-15(7-5-14)18(20)19-10-13-3-8-16-17(9-13)22-11-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20) |
| InChIKey | GLKPKUHOELBVIU-UHFFFAOYSA-N |
| Mol Weight | 297.35 g/mol |
| Molecular Formula | C18H19NO3 |
| Exact Mass | 297.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8mxvBLMANoE |
|---|---|
| Name | N-(1,3-Benzodioxol-5-ylmethyl)-4-isopropylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.136493473 u |
| Formula | C18H19NO3 |
| InChI | InChI=1S/C18H19NO3/c1-12(2)14-4-6-15(7-5-14)18(20)19-10-13-3-8-16-17(9-13)22-11-21-16/h3-9,12H,10-11H2,1-2H3,(H,19,20) |
| InChIKey | GLKPKUHOELBVIU-UHFFFAOYSA-N |
| SMILES | N(C(C1=CC=C(C=C1)C(C)C)=O)CC1=CC=2OCOC2C=C1 |