| SpectraBase Compound ID | ETpUCYiCIPD |
|---|---|
| InChI | InChI=1S/C12H11NO3/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)16-12(13)15/h2,4-7H,1,3,8H2 |
| InChIKey | KOPOGYPBVNFEJW-UHFFFAOYSA-N |
| Mol Weight | 217.22 g/mol |
| Molecular Formula | C12H11NO3 |
| Exact Mass | 217.073893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7JCvSf7IEOb |
|---|---|
| Name | 1-(3-Butenyl)-2H-3,1-benzoxazine-2,4(1H)-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.073893215 u |
| Formula | C12H11NO3 |
| InChI | InChI=1S/C12H11NO3/c1-2-3-8-13-10-7-5-4-6-9(10)11(14)16-12(13)15/h2,4-7H,1,3,8H2 |
| InChIKey | KOPOGYPBVNFEJW-UHFFFAOYSA-N |
| Molecular Weight | 217.224 g/mol |
| SMILES | C=12C=CC=CC1N(C(OC2=O)=O)CCC=C |