| SpectraBase Compound ID | ENtS8M9A6FF |
|---|---|
| InChI | InChI=1S/C8H12BrNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m1/s1 |
| InChIKey | OBCDZJOBILYTMH-ZCFIWIBFSA-N |
| Mol Weight | 250.09 g/mol |
| Molecular Formula | C8H12BrNO3 |
| Exact Mass | 249.000056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bhyp3yYZPgX |
|---|---|
| Name | (4S)-3-(2-Bromanylethanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.000056247 u |
| Formula | C8H12BrNO3 |
| InChI | InChI=1S/C8H12BrNO3/c1-5(2)6-4-13-8(12)10(6)7(11)3-9/h5-6H,3-4H2,1-2H3/t6-/m1/s1 |
| InChIKey | OBCDZJOBILYTMH-ZCFIWIBFSA-N |
| Molecular Weight | 250.092 g/mol |
| SMILES | C1(N([C@](CO1)(C(C)C)[H])C(=O)CBr)=O |