| SpectraBase Compound ID | 70guBCyDKS3 |
|---|---|
| InChI | InChI=1S/C13H15N3O2/c1-9-11(13(17)14-16(2)3)12(15-18-9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,17) |
| InChIKey | LSBDMJYJPVVNAS-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C13H15N3O2 |
| Exact Mass | 245.116427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4AKxBXqsVLt |
|---|---|
| Name | Isoxazole-4-carbohydrazide, 5-methyl-3-phenyl-N2,N2-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.116426733 u |
| Formula | C13H15N3O2 |
| InChI | InChI=1S/C13H15N3O2/c1-9-11(13(17)14-16(2)3)12(15-18-9)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,17) |
| InChIKey | LSBDMJYJPVVNAS-UHFFFAOYSA-N |
| Molecular Weight | 245.282 g/mol |
| SMILES | C=1(C(NN(C)C)=O)C(=NOC1C)C=1C=CC=CC1 |