| SpectraBase Compound ID | CIRQin0WGAE |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-5-6-7-12-22-18(21)16(13(2)3)19-17(20)15-10-8-14(4)9-11-15/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,20) |
| InChIKey | HFODYSNJIPEODA-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 | IdKYzMnE3GD |
|---|---|
| Name | L-Valine, N-(4-methylbenzoyl)-, pentyl 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/c1-5-6-7-12-22-18(21)16(13(2)3)19-17(20)15-10-8-14(4)9-11-15/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,20) |
| InChIKey | HFODYSNJIPEODA-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCCC)=O)C |