| SpectraBase Spectrum ID |
34WEFbE9GT |
| Name |
2'-(N-Butyl)oxy-4,4',6'-trimethoxychalcone (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.178023932 u |
| Formula |
C22H26O5 |
| InChI |
InChI=1S/C22H26O5/c1-5-6-13-27-21-15-18(25-3)14-20(26-4)22(21)19(23)12-9-16-7-10-17(24-2)11-8-16/h7-12,14-15H,5-6,13H2,1-4H3/b12-9+ |
| InChIKey |
QAXDRLVJFAKFSQ-FMIVXFBMSA-N |
| Molecular Weight |
370.445 g/mol |
| SMILES |
C1(=C(C=C(C=C1OC)OC)OCCCC)C(\C=C\C=1C=CC(OC)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960875 |
