| SpectraBase Compound ID | JTVgkHAg0cz |
|---|---|
| InChI | InChI=1S/C19H29BrO2/c1-3-5-6-7-8-9-14-18(11-4-2)22-19(21)16-12-10-13-17(20)15-16/h10,12-13,15,18H,3-9,11,14H2,1-2H3 |
| InChIKey | VKKSBDAFORLWOB-UHFFFAOYSA-N |
| Mol Weight | 369.34 g/mol |
| Molecular Formula | C19H29BrO2 |
| Exact Mass | 368.135093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3glB7A0yvGo |
|---|---|
| Name | 3-Bromobenzoic acid, 4-dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.135093172 u |
| Formula | C19H29BrO2 |
| InChI | InChI=1S/C19H29BrO2/c1-3-5-6-7-8-9-14-18(11-4-2)22-19(21)16-12-10-13-17(20)15-16/h10,12-13,15,18H,3-9,11,14H2,1-2H3 |
| InChIKey | VKKSBDAFORLWOB-UHFFFAOYSA-N |
| Molecular Weight | 369.343 g/mol |
| SMILES | C1=CC(C(OC(CCC)CCCCCCCC)=O)=CC(=C1)Br |