| SpectraBase Compound ID | 520MswuIPCS |
|---|---|
| InChI | InChI=1S/C18H24BrNO3/c1-13(2)6-5-11-23-18(22)16-9-4-10-20(16)17(21)14-7-3-8-15(19)12-14/h3,7-8,12-13,16H,4-6,9-11H2,1-2H3 |
| InChIKey | VWZCPNCBTSIMIQ-UHFFFAOYSA-N |
| Mol Weight | 382.3 g/mol |
| Molecular Formula | C18H24BrNO3 |
| Exact Mass | 381.093957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2NbjZpHgPWW |
|---|---|
| Name | L-Proline, N-(3-bromobenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.093956634 u |
| Formula | C18H24BrNO3 |
| InChI | InChI=1S/C18H24BrNO3/c1-13(2)6-5-11-23-18(22)16-9-4-10-20(16)17(21)14-7-3-8-15(19)12-14/h3,7-8,12-13,16H,4-6,9-11H2,1-2H3 |
| InChIKey | VWZCPNCBTSIMIQ-UHFFFAOYSA-N |
| Molecular Weight | 382.298 g/mol |
| SMILES | C1C(N(C(=O)C2=CC(=CC=C2)Br)CC1)C(=O)OCCCC(C)C |