| SpectraBase Spectrum ID |
CUWfS0nh8q3 |
| Name |
1-(1'',3''-Dimethoxy-4''-oxocyclohexa-2'',5''-dienyl)-4-(3',4'-dimethoxyphenyl)butane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.178023932 u |
| Formula |
C20H26O5 |
| InChI |
InChI=1S/C20H26O5/c1-22-17-9-8-15(13-18(17)23-2)7-5-6-11-20(25-4)12-10-16(21)19(14-20)24-3/h8-10,12-14H,5-7,11H2,1-4H3 |
| InChIKey |
PMMYIPJZTNUFHO-UHFFFAOYSA-N |
| Molecular Weight |
346.423 g/mol |
| SMILES |
C1=C(C(=O)C=CC1(OC)CCCCC=1C=C(OC)C(=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91351 |
