| SpectraBase Compound ID | IQNYeSwq5ql |
|---|---|
| InChI | InChI=1S/C16H22BrNO3/c1-3-4-5-6-10-21-15(19)12-18(2)16(20)13-8-7-9-14(17)11-13/h7-9,11H,3-6,10,12H2,1-2H3 |
| InChIKey | WURIUMBGJFLSPD-UHFFFAOYSA-N |
| Mol Weight | 356.26 g/mol |
| Molecular Formula | C16H22BrNO3 |
| Exact Mass | 355.078307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HuETLnxkQu |
|---|---|
| Name | Sarcosine, N-(3-bromobenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.078306569 u |
| Formula | C16H22BrNO3 |
| InChI | InChI=1S/C16H22BrNO3/c1-3-4-5-6-10-21-15(19)12-18(2)16(20)13-8-7-9-14(17)11-13/h7-9,11H,3-6,10,12H2,1-2H3 |
| InChIKey | WURIUMBGJFLSPD-UHFFFAOYSA-N |
| Molecular Weight | 356.260 g/mol |
| SMILES | C1=CC=C(C=C1C(N(CC(OCCCCCC)=O)C)=O)Br |