| SpectraBase Compound ID | 3LDABeGhFZ8 |
|---|---|
| InChI | InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-17-22-20(23)15-14-16-21(24)25-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,23) |
| InChIKey | ZVRLDWZTBXPKEI-UHFFFAOYSA-N |
| Mol Weight | 355.6 g/mol |
| Molecular Formula | C21H41NO3 |
| Exact Mass | 355.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9uJyc6MSrc3 |
|---|---|
| Name | Glutaric acid, monoamide, N-dodecyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.308644181 u |
| Formula | C21H41NO3 |
| InChI | InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-17-22-20(23)15-14-16-21(24)25-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,23) |
| InChIKey | ZVRLDWZTBXPKEI-UHFFFAOYSA-N |
| Molecular Weight | 355.563 g/mol |
| SMILES | CC(C)COC(CCCC(NCCCCCCCCCCCC)=O)=O |