| SpectraBase Spectrum ID |
KmZ7zTGgHSP |
| Name |
Diethyl 2-bromo-8-methoxy-1-undecene-6-yne-11-al-4,4-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.083451519 u |
| Formula |
C18H25BrO6 |
| InChI |
InChI=1S/C18H25BrO6/c1-5-24-16(21)18(13-14(3)19,17(22)25-6-2)11-7-9-15(23-4)10-8-12-20/h12,15H,3,5-6,8,10-11,13H2,1-2,4H3 |
| InChIKey |
JCOOVUWLUJZQFS-UHFFFAOYSA-N |
| Molecular Weight |
417.296 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(OC)CCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965002 |
