| SpectraBase Compound ID | EOwRpRBe5fW |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-3-5-7-8-13-22-18(21)16-11-9-10-15(14-16)17(20)19-12-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,20) |
| InChIKey | UTNNEVUSPMWSDJ-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByioZ44JMVW |
|---|---|
| Name | Isophthalic acid, monoamide, N-butyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-3-5-7-8-13-22-18(21)16-11-9-10-15(14-16)17(20)19-12-6-4-2/h9-11,14H,3-8,12-13H2,1-2H3,(H,19,20) |
| InChIKey | UTNNEVUSPMWSDJ-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1C(OCCCCCC)=O)C(NCCCC)=O |