| SpectraBase Spectrum ID |
65LAkJofqz9 |
| Name |
3-[(6-Bromo-2-keto-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.047400362 u |
| Formula |
C22H20BrNO6 |
| InChI |
InChI=1S/C22H20BrNO6/c1-3-29-20(25)12-18(13-4-7-16(28-2)8-5-13)24-21(26)17-11-14-10-15(23)6-9-19(14)30-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,24,26) |
| InChIKey |
BHUXERBAJWROFT-UHFFFAOYSA-N |
| Molecular Weight |
474.307 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(NC(CC(=O)OCC)C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842857 |
![3-[(6-Bromo-2-keto-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester](/api/spectrum/65LAkJofqz9/structure.png?h=300&w=458 "3-[(6-Bromo-2-keto-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester")
