| SpectraBase Spectrum ID |
J9d8wj6PMRL |
| Name |
3-Allyl-1,4-dihydro-8,8-dimethyl-5-methoxy-4-oxo-8H-pyrano[2,3-H]quinoline-2-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.141972775 u |
| Formula |
C20H21NO5 |
| InChI |
InChI=1S/C20H21NO5/c1-6-7-12-17(19(23)25-5)21-16-11-8-9-20(2,3)26-13(11)10-14(24-4)15(16)18(12)22/h6,8-10H,1,7H2,2-5H3,(H,21,22) |
| InChIKey |
YWNQRTHKPWOLBZ-UHFFFAOYSA-N |
| Molecular Weight |
355.390 g/mol |
| SMILES |
N1C2=C3C=CC(OC3=CC(=C2C(C(=C1C(OC)=O)CC=C)=O)OC)(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.971104 |
![3-allyl-1,4-dihydro-8,8-dimethyl-5-methoxy-4-oxo-8H-pyrano[2,3-h]quinoline-2-carboxylic acid, methyl ester](/api/spectrum/J9d8wj6PMRL/structure.png?h=300&w=458 "3-allyl-1,4-dihydro-8,8-dimethyl-5-methoxy-4-oxo-8H-pyrano[2,3-h]quinoline-2-carboxylic acid, methyl ester")
