| SpectraBase Compound ID | 3jFUPXH0R1w |
|---|---|
| InChI | InChI=1S/C8H11BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2,4,6-7H2,1H3 |
| InChIKey | ORMJOYKCTLOKIS-UHFFFAOYSA-N |
| Mol Weight | 219.08 g/mol |
| Molecular Formula | C8H11BrO2 |
| Exact Mass | 217.994243 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MkzQqla82O |
|---|---|
| Name | 7-Bromo-5-heptynoic acid, methyl ester |
| CAS Registry Number | 41349-38-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H11BrO2 |
| InChI | InChI=1S/C8H11BrO2/c1-11-8(10)6-4-2-3-5-7-9/h2,4,6-7H2,1H3 |
| InChIKey | ORMJOYKCTLOKIS-UHFFFAOYSA-N |
| Literature Reference | C.R. Johnson, T.D. Penning, J. Am. Chem. Soc. 110, 4726 (1988). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |