| SpectraBase Compound ID | Ey15y9wJCdd |
|---|---|
| InChI | InChI=1S/C15H20BrNO3/c1-3-4-5-9-20-14(18)11-17(2)15(19)12-7-6-8-13(16)10-12/h6-8,10H,3-5,9,11H2,1-2H3 |
| InChIKey | ZBMBCXKNZIMFKL-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 | EI2LVIygWMs |
|---|---|
| Name | Sarcosine, N-(3-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/c1-3-4-5-9-20-14(18)11-17(2)15(19)12-7-6-8-13(16)10-12/h6-8,10H,3-5,9,11H2,1-2H3 |
| InChIKey | ZBMBCXKNZIMFKL-UHFFFAOYSA-N |
| Molecular Weight | 342.233 g/mol |
| SMILES | C1=CC=C(C=C1C(N(C)CC(OCCCCC)=O)=O)Br |