| SpectraBase Compound ID | 6JZSNQX16j4 |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-4-5-8-16-9-11-17(12-10-16)19(22)20-14-18(21)23-13-6-7-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,22) |
| InChIKey | BVNBDOQFJDNTQM-UHFFFAOYSA-N |
| Mol Weight | 319.45 g/mol |
| Molecular Formula | C19H29NO3 |
| Exact Mass | 319.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SuGkuHKJ6N |
|---|---|
| Name | Glycine, N-(4-butylbenzoyl)-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.214743795 u |
| Formula | C19H29NO3 |
| InChI | InChI=1S/C19H29NO3/c1-4-5-8-16-9-11-17(12-10-16)19(22)20-14-18(21)23-13-6-7-15(2)3/h9-12,15H,4-8,13-14H2,1-3H3,(H,20,22) |
| InChIKey | BVNBDOQFJDNTQM-UHFFFAOYSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C1=CC(=CC=C1C(NCC(OCCCC(C)C)=O)=O)CCCC |