| SpectraBase Compound ID | 10jByuD4NJY |
|---|---|
| InChI | InChI=1S/C21H32BrNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey | YDBQRRPRSKNVLE-UHFFFAOYSA-N |
| Mol Weight | 426.4 g/mol |
| Molecular Formula | C21H32BrNO3 |
| Exact Mass | 425.156557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IxBWoiLp7FO |
|---|---|
| Name | Sarcosine, N-(4-bromobenzoyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.156556891 u |
| Formula | C21H32BrNO3 |
| InChI | InChI=1S/C21H32BrNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3 |
| InChIKey | YDBQRRPRSKNVLE-UHFFFAOYSA-N |
| Molecular Weight | 426.395 g/mol |
| SMILES | C(C1=CC=C(C=C1)Br)(=O)N(CC(=O)OCCCCCCCCCCC)C |