| SpectraBase Compound ID | DiETOa5URJa |
|---|---|
| InChI | InChI=1S/C19H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)22-19(21)16-13-14-17-20/h18H,3-17H2,1-2H3 |
| InChIKey | KSHYDCLMJWNABI-UHFFFAOYSA-N |
| Mol Weight | 377.4 g/mol |
| Molecular Formula | C19H37BrO2 |
| Exact Mass | 376.197693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Guv9R8vrUx |
|---|---|
| Name | 5-Bromovaleric acid, 2-tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.197693429 u |
| Formula | C19H37BrO2 |
| InChI | InChI=1S/C19H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)22-19(21)16-13-14-17-20/h18H,3-17H2,1-2H3 |
| InChIKey | KSHYDCLMJWNABI-UHFFFAOYSA-N |
| Molecular Weight | 377.407 g/mol |
| SMILES | CCCCCCCCCCCCC(OC(CCCCBr)=O)C |