| SpectraBase Compound ID | 3QIZu3Q6Oxs |
|---|---|
| InChI | InChI=1S/C8H13BrO3/c1-12-8(11)7(6-9)4-2-3-5-10/h4,10H,2-3,5-6H2,1H3/b7-4+ |
| InChIKey | HOBPUDZCMQTICY-QPJJXVBHSA-N |
| Mol Weight | 237.09 g/mol |
| Molecular Formula | C8H13BrO3 |
| Exact Mass | 236.004807 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1Jg9xTcRRj |
|---|---|
| Name | (Z)-6-Hydroxy-2-(bromomethyl)-2-hexenoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.004807276 u |
| Formula | C8H13BrO3 |
| InChI | InChI=1S/C8H13BrO3/c1-12-8(11)7(6-9)4-2-3-5-10/h4,10H,2-3,5-6H2,1H3/b7-4+ |
| InChIKey | HOBPUDZCMQTICY-QPJJXVBHSA-N |
| Molecular Weight | 237.093 g/mol |
| SMILES | C(\C(=C\CCCO)CBr)(=O)OC |