| SpectraBase Compound ID | FLDOvh7VOyW |
|---|---|
| InChI | InChI=1S/C19H28BrNO3/c1-3-4-5-6-7-8-11-14-24-18(22)15-21(2)19(23)16-12-9-10-13-17(16)20/h9-10,12-13H,3-8,11,14-15H2,1-2H3 |
| InChIKey | PMHPEJRPTSGYAK-UHFFFAOYSA-N |
| Mol Weight | 398.34 g/mol |
| Molecular Formula | C19H28BrNO3 |
| Exact Mass | 397.125257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDMljJCwVTX |
|---|---|
| Name | Sarcosine, N-(2-bromobenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.125256763 u |
| Formula | C19H28BrNO3 |
| InChI | InChI=1S/C19H28BrNO3/c1-3-4-5-6-7-8-11-14-24-18(22)15-21(2)19(23)16-12-9-10-13-17(16)20/h9-10,12-13H,3-8,11,14-15H2,1-2H3 |
| InChIKey | PMHPEJRPTSGYAK-UHFFFAOYSA-N |
| Molecular Weight | 398.341 g/mol |
| SMILES | C(CN(C(=O)C1=C(C=CC=C1)Br)C)(OCCCCCCCCC)=O |