| SpectraBase Spectrum ID |
GrN9F7wP8l4 |
| Name |
N-{[5-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.125277338 u |
| Formula |
C14H21N3O4S |
| InChI |
InChI=1S/C14H21N3O4S/c1-8(2)11(13(19)21-4)15-10(18)7-17-6-9(3)12(22-5)16-14(17)20/h6,8,11H,7H2,1-5H3,(H,15,18)/t11-/m0/s1 |
| InChIKey |
MBQGJOIHGNXURJ-NSHDSACASA-N |
| Molecular Weight |
327.399 g/mol |
| SMILES |
C1(N=C(C(=CN1CC(N[C@](C(=O)OC)(C(C)C)[H])=O)C)SC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806319 |
![N-{[5-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine methyl ester](/api/spectrum/GrN9F7wP8l4/structure.png?h=300&w=458 "N-{[5-Methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine methyl ester")
