| SpectraBase Compound ID | 3CCtYwptBia |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h5-8,12-13,16-17H,4,9-11H2,1-3H3 |
| InChIKey | VXMJTWXUEVQYQA-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ty2xeY38j1 |
|---|---|
| Name | L-o-(4-Nitrobenzyl)menthol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.183443666 u |
| Formula | C17H25NO3 |
| InChI | InChI=1S/C17H25NO3/c1-12(2)16-9-4-13(3)10-17(16)21-11-14-5-7-15(8-6-14)18(19)20/h5-8,12-13,16-17H,4,9-11H2,1-3H3 |
| InChIKey | VXMJTWXUEVQYQA-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(COC2C(CCC(C2)C)C(C)C)C=C1 |