| SpectraBase Compound ID | A8w5LkyJpua |
|---|---|
| InChI | InChI=1S/C15H20BrNO3/c1-3-4-7-10-20-14(18)11-17(2)15(19)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3 |
| InChIKey | ZKGHCIKFIPTLSN-UHFFFAOYSA-N |
| Mol Weight | 342.23 g/mol |
| Molecular Formula | C15H20BrNO3 |
| Exact Mass | 341.062657 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKjbWHvcgPg |
|---|---|
| Name | Sarcosine, N-(2-bromobenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.062656505 u |
| Formula | C15H20BrNO3 |
| InChI | InChI=1S/C15H20BrNO3/c1-3-4-7-10-20-14(18)11-17(2)15(19)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3 |
| InChIKey | ZKGHCIKFIPTLSN-UHFFFAOYSA-N |
| Molecular Weight | 342.233 g/mol |
| SMILES | C(CN(C(=O)C=1C(Br)=CC=CC1)C)(OCCCCC)=O |