| SpectraBase Compound ID | JCGxlq3pjCd |
|---|---|
| InChI | InChI=1S/C18H26BrNO3/c1-3-4-5-6-7-8-12-23-18(22)14(2)20-17(21)15-10-9-11-16(19)13-15/h9-11,13-14H,3-8,12H2,1-2H3,(H,20,21) |
| InChIKey | MNVSVDUKDKDPFH-UHFFFAOYSA-N |
| Mol Weight | 384.31 g/mol |
| Molecular Formula | C18H26BrNO3 |
| Exact Mass | 383.109607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACGovLgm3RF |
|---|---|
| Name | L-Alanine, N-(3-bromobenzoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.109606698 u |
| Formula | C18H26BrNO3 |
| InChI | InChI=1S/C18H26BrNO3/c1-3-4-5-6-7-8-12-23-18(22)14(2)20-17(21)15-10-9-11-16(19)13-15/h9-11,13-14H,3-8,12H2,1-2H3,(H,20,21) |
| InChIKey | MNVSVDUKDKDPFH-UHFFFAOYSA-N |
| Molecular Weight | 384.314 g/mol |
| SMILES | C1=C(C=CC=C1C(NC(C(OCCCCCCCC)=O)C)=O)Br |