| SpectraBase Spectrum ID |
3SabnAVPALS |
| Name |
6-Bromanyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxidanylidene-chromene-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.068135807 u |
| Formula |
C22H22BrNO5 |
| InChI |
InChI=1S/C22H22BrNO5/c1-3-27-19-7-5-14(11-20(19)28-4-2)9-10-24-21(25)17-13-15-12-16(23)6-8-18(15)29-22(17)26/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,25) |
| InChIKey |
ABQMJFCTHMQGFZ-UHFFFAOYSA-N |
| Molecular Weight |
460.324 g/mol |
| SMILES |
C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(=O)NCCC=1C=C(OCC)C(=CC1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926688 |
![6-Bromanyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxidanylidene-chromene-3-carboxamide](/api/spectrum/3SabnAVPALS/structure.png?h=300&w=458 "6-Bromanyl-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxidanylidene-chromene-3-carboxamide")
