| SpectraBase Compound ID | B7GMbRChyHB |
|---|---|
| InChI | InChI=1S/C13H13NO3/c15-7-3-6-14-11-8-12(16)9-4-1-2-5-10(9)13(11)17/h1-2,4-5,8,14-15H,3,6-7H2 |
| InChIKey | QLEVUZYGUXWUKW-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oJtkfiqEL5 |
|---|---|
| Name | 2-(3-Hydroxypropylamino)-1,4-naphthoquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c15-7-3-6-14-11-8-12(16)9-4-1-2-5-10(9)13(11)17/h1-2,4-5,8,14-15H,3,6-7H2 |
| InChIKey | QLEVUZYGUXWUKW-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C12=C(C(C(=CC2=O)NCCCO)=O)C=CC=C1 |