| SpectraBase Compound ID | E1Q3AO0UdUm |
|---|---|
| InChI | InChI=1S/C14H21NO/c1-4-5-6-13(15-3)14(16)12-9-7-11(2)8-10-12/h7-10,13,15H,4-6H2,1-3H3 |
| InChIKey | BDTHWVVHQBNAGU-UHFFFAOYSA-N |
| Mol Weight | 219.33 g/mol |
| Molecular Formula | C14H21NO |
| Exact Mass | 219.162314 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GmTXJcTndiI |
|---|---|
| Name | 4'-Methyl-N-methylhexanophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.162314299 u |
| Formula | C14H21NO |
| InChI | InChI=1S/C14H21NO/c1-4-5-6-13(15-3)14(16)12-9-7-11(2)8-10-12/h7-10,13,15H,4-6H2,1-3H3 |
| InChIKey | BDTHWVVHQBNAGU-UHFFFAOYSA-N |
| Molecular Weight | 219.328 g/mol |
| SMILES | N(C(C(C1=CC=C(C=C1)C)=O)CCCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.870633 |