| SpectraBase Compound ID | EaChCCuYrNt |
|---|---|
| InChI | InChI=1S/C14H18BrNO3/c1-3-4-8-19-13(17)10-16(2)14(18)11-6-5-7-12(15)9-11/h5-7,9H,3-4,8,10H2,1-2H3 |
| InChIKey | GJKOYCPJMZZHNB-UHFFFAOYSA-N |
| Mol Weight | 328.21 g/mol |
| Molecular Formula | C14H18BrNO3 |
| Exact Mass | 327.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6C74sVZNPaf |
|---|---|
| Name | Sarcosine, N-(3-bromobenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.047006441 u |
| Formula | C14H18BrNO3 |
| InChI | InChI=1S/C14H18BrNO3/c1-3-4-8-19-13(17)10-16(2)14(18)11-6-5-7-12(15)9-11/h5-7,9H,3-4,8,10H2,1-2H3 |
| InChIKey | GJKOYCPJMZZHNB-UHFFFAOYSA-N |
| Molecular Weight | 328.206 g/mol |
| SMILES | C1=CC(=CC(=C1)Br)C(N(CC(OCCCC)=O)C)=O |