| SpectraBase Compound ID | 3wT1M23U51S |
|---|---|
| InChI | InChI=1S/C16H19NO5/c1-12-6-4-5-7-14(12)17(10-11-22-13(2)18)15(19)8-9-16(20)21-3/h4-9H,10-11H2,1-3H3/b9-8+ |
| InChIKey | MQMQMQSPPRCWDQ-CMDGGOBGSA-N |
| Mol Weight | 305.33 g/mol |
| Molecular Formula | C16H19NO5 |
| Exact Mass | 305.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7LQTNvx5mMn |
|---|---|
| Name | Crotamiton-m meac P936 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.126322711 u |
| Formula | C16H19NO5 |
| InChI | InChI=1S/C16H19NO5/c1-12-6-4-5-7-14(12)17(10-11-22-13(2)18)15(19)8-9-16(20)21-3/h4-9H,10-11H2,1-3H3/b9-8+ |
| InChIKey | MQMQMQSPPRCWDQ-CMDGGOBGSA-N |
| Molecular Weight | 305.330 g/mol |
| SMILES | C=1C=CC(N(C(\C=C\C(=O)OC)=O)CCOC(=O)C)=C(C)C1 |