| SpectraBase Compound ID | 9MwgPNurwCE |
|---|---|
| InChI | InChI=1S/C16H22BrNO3/c1-2-3-6-12-21-16(20)11-7-10-15(19)18-14-9-5-4-8-13(14)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19) |
| InChIKey | SGJZBFADZTWIOP-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 | LQDU8fs499p |
|---|---|
| Name | Glutaric acid, monoamide, N-(2-bromophenyl)-, pentyl 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/c1-2-3-6-12-21-16(20)11-7-10-15(19)18-14-9-5-4-8-13(14)17/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,19) |
| InChIKey | SGJZBFADZTWIOP-UHFFFAOYSA-N |
| Molecular Weight | 356.260 g/mol |
| SMILES | C1=CC=C(C(=C1)NC(CCCC(OCCCCC)=O)=O)Br |