| SpectraBase Compound ID | BBbfiDQWLW4 |
|---|---|
| InChI | InChI=1S/C18H29NO/c1-5-6-8-11-16(4)19(18(20)15(2)3)14-17-12-9-7-10-13-17/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3 |
| InChIKey | QCIXKKYSKQIMLK-UHFFFAOYSA-N |
| Mol Weight | 275.44 g/mol |
| Molecular Formula | C18H29NO |
| Exact Mass | 275.224915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Yl9XGsz1v2 |
|---|---|
| Name | Isobutyramide, N-benzyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.224914557 u |
| Formula | C18H29NO |
| InChI | InChI=1S/C18H29NO/c1-5-6-8-11-16(4)19(18(20)15(2)3)14-17-12-9-7-10-13-17/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3 |
| InChIKey | QCIXKKYSKQIMLK-UHFFFAOYSA-N |
| SMILES | C(N(C(CCCCC)C)CC1=CC=CC=C1)(=O)C(C)C |