| SpectraBase Spectrum ID |
5Wh680gvJ2b |
| Name |
5-(2-Allyloxy-5-methoxy-benzyl)-1,3-dimethyl-hexahydropyrimidine-4,6-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.157957192 u |
| Formula |
C17H22N2O4 |
| InChI |
InChI=1S/C17H22N2O4/c1-5-8-23-15-7-6-13(22-4)9-12(15)10-14-16(20)18(2)11-19(3)17(14)21/h5-7,9,14H,1,8,10-11H2,2-4H3 |
| InChIKey |
ACLRPCCCGKKPDF-UHFFFAOYSA-N |
| Molecular Weight |
318.373 g/mol |
| SMILES |
C1(C(N(C)CN(C1=O)C)=O)CC=1C(=CC=C(C1)OC)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919668 |
