| SpectraBase Spectrum ID |
1NJbo8SwSU0 |
| Name |
2'-(N-Propyl)oxy-3,4,4',5-tetramethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.172938551 u |
| Formula |
C22H26O6 |
| InChI |
InChI=1S/C22H26O6/c1-6-11-28-19-14-16(24-2)8-9-17(19)18(23)10-7-15-12-20(25-3)22(27-5)21(13-15)26-4/h7-10,12-14H,6,11H2,1-5H3/b10-7+ |
| InChIKey |
JCVZBPUQSDYJQB-JXMROGBWSA-N |
| Molecular Weight |
386.444 g/mol |
| SMILES |
C1(=C(C=C(C=C1)OC)OCCC)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969013 |
