| SpectraBase Compound ID | 7q9hAXmHYSc |
|---|---|
| InChI | InChI=1S/C13H14BrNO3/c14-8-4-1-5-9-15-11-7-3-2-6-10(11)12(16)18-13(15)17/h2-3,6-7H,1,4-5,8-9H2 |
| InChIKey | DRONETABSLAPNY-UHFFFAOYSA-N |
| Mol Weight | 312.16 g/mol |
| Molecular Formula | C13H14BrNO3 |
| Exact Mass | 311.015706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46NM865UI1b |
|---|---|
| Name | 1-(5-Bromopentyl)-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 | 311.015706312 u |
| Formula | C13H14BrNO3 |
| InChI | InChI=1S/C13H14BrNO3/c14-8-4-1-5-9-15-11-7-3-2-6-10(11)12(16)18-13(15)17/h2-3,6-7H,1,4-5,8-9H2 |
| InChIKey | DRONETABSLAPNY-UHFFFAOYSA-N |
| Molecular Weight | 312.163 g/mol |
| SMILES | C=12C=CC=CC1N(C(OC2=O)=O)CCCCCBr |