| SpectraBase Spectrum ID |
5QolaRKXWQN |
| Name |
1-Methyl-2(1H)-pyridone, compound with 2,5-di-tert-butyl hydroquinone(1:1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.214743795 u |
| Formula |
C20H29NO3 |
| InChI |
InChI=1S/C14H22O2.C6H7NO/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6;1-7-5-3-2-4-6(7)8/h7-8,15-16H,1-6H3;2-5H,1H3 |
| InChIKey |
YMFKNONMOLOZQC-UHFFFAOYSA-N |
| Molecular Weight |
331.456 g/mol |
| SMILES |
C=1C(N(C=CC1)C)=O.OC=1C=C(C(=CC1C(C)(C)C)O)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.710282 |
