| SpectraBase Compound ID | DxcpcF4bZQ1 |
|---|---|
| InChI | InChI=1S/C14H18BrNO3/c1-3-4-9-19-13(17)10-16(2)14(18)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | ZTWKAIDGRYRXMZ-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 | 57vkgej4jVX |
|---|---|
| Name | Sarcosine, N-(2-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/c1-3-4-9-19-13(17)10-16(2)14(18)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3 |
| InChIKey | ZTWKAIDGRYRXMZ-UHFFFAOYSA-N |
| Molecular Weight | 328.206 g/mol |
| SMILES | C(CN(C(=O)C1=CC=CC=C1Br)C)(OCCCC)=O |