| SpectraBase Compound ID | 9upXx104dob |
|---|---|
| InChI | InChI=1S/C18H35BrO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)21-18(20)15-11-12-16-19/h17H,3-16H2,1-2H3 |
| InChIKey | CIYHQZFTFQKAKR-UHFFFAOYSA-N |
| Mol Weight | 363.4 g/mol |
| Molecular Formula | C18H35BrO2 |
| Exact Mass | 362.182043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JpyPoV1MbH |
|---|---|
| Name | 5-Bromovaleric acid, 4-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.182043365 u |
| Formula | C18H35BrO2 |
| InChI | InChI=1S/C18H35BrO2/c1-3-5-6-7-8-9-10-14-17(13-4-2)21-18(20)15-11-12-16-19/h17H,3-16H2,1-2H3 |
| InChIKey | CIYHQZFTFQKAKR-UHFFFAOYSA-N |
| Molecular Weight | 363.380 g/mol |
| SMILES | CCCCCCCCCC(OC(CCCCBr)=O)CCC |