| SpectraBase Compound ID | 2umBX3QYIO9 |
|---|---|
| InChI | InChI=1S/C17H24BrNO3/c1-3-4-5-6-7-12-22-16(20)13-19(2)17(21)14-8-10-15(18)11-9-14/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey | ORNVCUQBLZQIGB-UHFFFAOYSA-N |
| Mol Weight | 370.29 g/mol |
| Molecular Formula | C17H24BrNO3 |
| Exact Mass | 369.093957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ttjJrknaKn |
|---|---|
| Name | Sarcosine, N-(4-bromobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.093956634 u |
| Formula | C17H24BrNO3 |
| InChI | InChI=1S/C17H24BrNO3/c1-3-4-5-6-7-12-22-16(20)13-19(2)17(21)14-8-10-15(18)11-9-14/h8-11H,3-7,12-13H2,1-2H3 |
| InChIKey | ORNVCUQBLZQIGB-UHFFFAOYSA-N |
| Molecular Weight | 370.287 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)C(=O)N(CC(=O)OCCCCCCC)C |