| SpectraBase Compound ID | lIFAXoaxd |
|---|---|
| InChI | InChI=1S/C17H24BrNO3/c1-3-4-5-6-7-11-22-16(20)13-19(2)17(21)14-9-8-10-15(18)12-14/h8-10,12H,3-7,11,13H2,1-2H3 |
| InChIKey | MQPZTDFSCCINQZ-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 | FdqxAWSsEWk |
|---|---|
| Name | Sarcosine, N-(3-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/c1-3-4-5-6-7-11-22-16(20)13-19(2)17(21)14-9-8-10-15(18)12-14/h8-10,12H,3-7,11,13H2,1-2H3 |
| InChIKey | MQPZTDFSCCINQZ-UHFFFAOYSA-N |
| Molecular Weight | 370.287 g/mol |
| SMILES | C1=CC=C(C=C1C(N(CC(OCCCCCCC)=O)C)=O)Br |