| SpectraBase Compound ID | 42L3JvJcT2p |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-15-18-23(22(24)20(2)3)19-21-16-13-12-14-17-21/h12-14,16-17,20H,4-11,15,18-19H2,1-3H3 |
| InChIKey | XGODTYXOQWIZQE-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gmsnb16dheO |
|---|---|
| Name | Isobutyramide, N-benzyl-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-15-18-23(22(24)20(2)3)19-21-16-13-12-14-17-21/h12-14,16-17,20H,4-11,15,18-19H2,1-3H3 |
| InChIKey | XGODTYXOQWIZQE-UHFFFAOYSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)C(C)C |