| SpectraBase Spectrum ID |
FQKIu3vN8sB |
| Name |
1-(Ethoxymethyl)-5-methyl-6-veratryl-pyrimidine-2,4-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.152871811 u |
| Formula |
C17H22N2O5 |
| InChI |
InChI=1S/C17H22N2O5/c1-5-24-10-19-13(11(2)16(20)18-17(19)21)8-12-6-7-14(22-3)15(9-12)23-4/h6-7,9H,5,8,10H2,1-4H3,(H,18,20,21) |
| InChIKey |
CBCLPISUIVSGCC-UHFFFAOYSA-N |
| Molecular Weight |
334.372 g/mol |
| SMILES |
C=1(N(C(NC(C1C)=O)=O)COCC)CC=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967271 |
