| SpectraBase Spectrum ID |
5eWaM0wQJZ5 |
| Name |
(+)-(S)-1-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-4-penten-1-one |
| 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/c1-7-8-16(15-12-19(26-4)22(28-6)20(13-15)27-5)21(23)14-9-10-17(24-2)18(11-14)25-3/h7,9-13,16H,1,8H2,2-6H3/t16-/m0/s1 |
| InChIKey |
TZZLXHAVSAFETG-INIZCTEOSA-N |
| Molecular Weight |
386.444 g/mol |
| SMILES |
C=1([C@@](C(C2=CC(OC)=C(C=C2)OC)=O)(CC=C)[H])C=C(OC)C(=C(C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973931 |
