| SpectraBase Compound ID | Le3azj0ppqn |
|---|---|
| InChI | InChI=1S/C12H25NO/c1-4-6-8-9-11(3)13-12(14)10-7-5-2/h11H,4-10H2,1-3H3,(H,13,14) |
| InChIKey | YSQUFYGLRATJSY-UHFFFAOYSA-N |
| Mol Weight | 199.34 g/mol |
| Molecular Formula | C12H25NO |
| Exact Mass | 199.193614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJSQPL96OqH |
|---|---|
| Name | Valeramide, N-hept-2-yl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.193614428 u |
| Formula | C12H25NO |
| InChI | InChI=1S/C12H25NO/c1-4-6-8-9-11(3)13-12(14)10-7-5-2/h11H,4-10H2,1-3H3,(H,13,14) |
| InChIKey | YSQUFYGLRATJSY-UHFFFAOYSA-N |
| Molecular Weight | 199.338 g/mol |
| SMILES | CCCCC(NC(CCCCC)C)=O |