| SpectraBase Spectrum ID |
CHqZERjUc3Z |
| Name |
N-(2-Acetyl-3-oxo-1-butenyl)-3,4,5-trimethoxyanthranilic acid, methyl etser |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.131802013 u |
| Formula |
C17H21NO7 |
| InChI |
InChI=1S/C17H21NO7/c1-9(19)12(10(2)20)8-18-14-11(17(21)25-6)7-13(22-3)15(23-4)16(14)24-5/h7-8,18H,1-6H3 |
| InChIKey |
XNVHBKAKJZAZLA-UHFFFAOYSA-N |
| Molecular Weight |
351.355 g/mol |
| SMILES |
N(C1=C(C(=C(C=C1C(=O)OC)OC)OC)OC)C=C(C(C)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.740644 |
