| SpectraBase Spectrum ID |
HOGv5zSvVV |
| Name |
3-Isoxazolecarboxylic acid, 5-[[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.105587265 u |
| Formula |
C18H17NO6 |
| InChI |
InChI=1S/C18H17NO6/c1-4-22-18(21)15-7-13(25-19-15)9-23-12-5-6-14-10(2)11(3)17(20)24-16(14)8-12/h5-8H,4,9H2,1-3H3 |
| InChIKey |
JFRQBDNWQBLOEX-UHFFFAOYSA-N |
| Molecular Weight |
343.335 g/mol |
| SMILES |
C1(=C(C(OC=2C=C(C=CC12)OCC1=CC(=NO1)C(=O)OCC)=O)C)C |
![3-Isoxazolecarboxylic acid, 5-[[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-, ethyl ester](/api/spectrum/HOGv5zSvVV/structure.png?h=300&w=458 "3-Isoxazolecarboxylic acid, 5-[[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-, ethyl ester")
