| SpectraBase Spectrum ID |
3BgafXxdoBz |
| Name |
(2E)-4-[2-(3,6-Diisopropoxy-2-methoxybenzyloxy)ethoxy]-2-methylbut-2-enal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.219888744 u |
| Formula |
C21H32O6 |
| InChI |
InChI=1S/C21H32O6/c1-15(2)26-19-7-8-20(27-16(3)4)21(23-6)18(19)14-25-12-11-24-10-9-17(5)13-22/h7-9,13,15-16H,10-12,14H2,1-6H3/b17-9+ |
| InChIKey |
NJUBCQXJRZVMAR-RQZCQDPDSA-N |
| Molecular Weight |
380.481 g/mol |
| SMILES |
C(\C(=C\COCCOCC=1C(=C(C=CC1OC(C)C)OC(C)C)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852387 |
![(2E)-4-[2-(3,6-Diisopropoxy-2-methoxybenzyloxy)ethoxy]-2-methylbut-2-enal](/api/spectrum/3BgafXxdoBz/structure.png?h=300&w=458 "(2E)-4-[2-(3,6-Diisopropoxy-2-methoxybenzyloxy)ethoxy]-2-methylbut-2-enal")
