| SpectraBase Spectrum ID |
4I7eKTrtt0f |
| Name |
Hydroxymethyl penoxalin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.132470719 u |
| Formula |
C13H19N3O5 |
| InChI |
InChI=1S/C13H19N3O5/c1-5-9(6-2)14-10-11(15(18)19)7(3)8(4)13(17)12(10)16(20)21/h9,14,17H,5-6H2,1-4H3 |
| InChIKey |
UVVGKYFZRLIMHD-UHFFFAOYSA-N |
| Molecular Weight |
297.311 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1C)N(=O)=O)NC(CC)CC)N(=O)=O)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962766 |
