| SpectraBase Compound ID | Ls579Yl8kAP |
|---|---|
| InChI | InChI=1S/C16H17NO/c1-11-5-8-14(9-6-11)16(18)17-15-10-12(2)4-7-13(15)3/h4-10H,1-3H3,(H,17,18) |
| InChIKey | KQSKHOJXLMYJKH-UHFFFAOYSA-N |
| Mol Weight | 239.32 g/mol |
| Molecular Formula | C16H17NO |
| Exact Mass | 239.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APyfSyJQgqj |
|---|---|
| Name | p-Tolu-2',5'-xylidide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.131014170 u |
| Formula | C16H17NO |
| InChI | InChI=1S/C16H17NO/c1-11-5-8-14(9-6-11)16(18)17-15-10-12(2)4-7-13(15)3/h4-10H,1-3H3,(H,17,18) |
| InChIKey | KQSKHOJXLMYJKH-UHFFFAOYSA-N |
| Molecular Weight | 239.318 g/mol |
| SMILES | N(C(C1=CC=C(C=C1)C)=O)C=1C(=CC=C(C1)C)C |