| SpectraBase Compound ID | 9CBskqmTtQB |
|---|---|
| InChI | InChI=1S/C13H13NO/c1-3-11-12(4-2)15-14-13(11)10-8-6-5-7-9-10/h3-9,11-12H,1-2H2/t11-,12+/m0/s1 |
| InChIKey | GHZBDEJXGQLUAH-NWDGAFQWSA-N |
| Mol Weight | 199.25 g/mol |
| Molecular Formula | C13H13NO |
| Exact Mass | 199.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Xz9ZIxQGrY |
|---|---|
| Name | cis-4,5-Dihydro-3-phenyl-4,5-divinylisoxazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.099714042 u |
| Formula | C13H13NO |
| InChI | InChI=1S/C13H13NO/c1-3-11-12(4-2)15-14-13(11)10-8-6-5-7-9-10/h3-9,11-12H,1-2H2/t11-,12+/m0/s1 |
| InChIKey | GHZBDEJXGQLUAH-NWDGAFQWSA-N |
| Molecular Weight | 199.253 g/mol |
| SMILES | C1(=NO[C@@]([C@@]1(C=C)[H])(C=C)[H])C1=CC=CC=C1 |