| SpectraBase Compound ID | A6GJ5mi0qua |
|---|---|
| InChI | InChI=1S/C6H9BrO2/c7-5-1-2-6(8)9-4-3-5/h5H,1-4H2/t5-/m0/s1 |
| InChIKey | CPBPWLLHSISZDQ-YFKPBYRVSA-N |
| Mol Weight | 193.04 g/mol |
| Molecular Formula | C6H9BrO2 |
| Exact Mass | 191.978593 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BPBWFcOtoxY |
|---|---|
| Name | (5S)-5-bromanyloxepan-2-one |
| Alternate Name(s) | (5S)-5-bromo-2-oxepanone (5S)-5-bromooxepan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H9BrO2 |
| InChI | InChI=1S/C6H9BrO2/c7-5-1-2-6(8)9-4-3-5/h5H,1-4H2/t5-/m0/s1 |
| InChIKey | CPBPWLLHSISZDQ-YFKPBYRVSA-N |
| Molecular Weight | 193.040 g/mol |
| SMILES | C1(OCC[C@](CC1)(Br)[H])=O |
| SPLASH | splash10-000i-9100000000-f005f34d79e8a0ff9848 |
| Source of Spectrum | J-66-738-2 |
| Wiley ID | 1534300 |