| SpectraBase Compound ID | BuDhzZUWVFi |
|---|---|
| InChI | InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3 |
| InChIKey | MJXGIIVJTPVZCW-UHFFFAOYSA-N |
| Mol Weight | 223.32 g/mol |
| Molecular Formula | C13H21NO2 |
| Exact Mass | 223.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUxaV9uslKv |
|---|---|
| Name | 1-(Isopropylamino)-3-(4-methylphenoxy)-2-propanol (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.157228918 u |
| Formula | C13H21NO2 |
| InChI | InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3 |
| InChIKey | MJXGIIVJTPVZCW-UHFFFAOYSA-N |
| Molecular Weight | 223.316 g/mol |
| SMILES | C(NCC(O)COC1=CC=C(C=C1)C)(C)C |