| SpectraBase Compound ID | 7NM5vnXZ9DQ |
|---|---|
| InChI | InChI=1S/C13H13N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-11H,1H3 |
| InChIKey | ZFZPQOVKSLKIKI-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C13H13N |
| Exact Mass | 183.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uKI4AgudeQ |
|---|---|
| Name | Doxylamine-m (-C4H1ONO) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.104799423 u |
| Formula | C13H13N |
| InChI | InChI=1S/C13H13N/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-11H,1H3 |
| InChIKey | ZFZPQOVKSLKIKI-UHFFFAOYSA-N |
| Molecular Weight | 183.254 g/mol |
| SMILES | C(C=1C=CC=CC1)(C1=NC=CC=C1)C |