| SpectraBase Compound ID | Brfptlsq3RK |
|---|---|
| InChI | InChI=1S/C9H11NO3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1 |
| InChIKey | VOELZSMOIBLVQT-VIFPVBQESA-N |
| Mol Weight | 181.19 g/mol |
| Molecular Formula | C9H11NO3 |
| Exact Mass | 181.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBPyYYTpXKO |
|---|---|
| Name | (S)-(-)-1-phenyl-3-nitro-1-propanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.073893215 u |
| Formula | C9H11NO3 |
| InChI | InChI=1S/C9H11NO3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1 |
| InChIKey | VOELZSMOIBLVQT-VIFPVBQESA-N |
| Molecular Weight | 181.191 g/mol |
| SMILES | C(N(=O)=O)C[C@@](C=1C=CC=CC1)(O)[H] |