| SpectraBase Spectrum ID |
62SlZQ3OtAu |
| Name |
2-Pyrrolidinone, 1-(5,6,7-trimethoxy-2-oxo-2H-1-benzopyran-4-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.105587265 u |
| Formula |
C16H17NO6 |
| InChI |
InChI=1S/C16H17NO6/c1-20-11-8-10-14(16(22-3)15(11)21-2)9(7-13(19)23-10)17-6-4-5-12(17)18/h7-8H,4-6H2,1-3H3 |
| InChIKey |
XTUOWEWRLKDVIS-UHFFFAOYSA-N |
| Molecular Weight |
319.313 g/mol |
| SMILES |
C1(=C(C(=CC2=C1C(=CC(O2)=O)N1C(CCC1)=O)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829981 |
