| SpectraBase Spectrum ID |
7SYD0Xuf9gb |
| Name |
Diethyl 2-bromo-8-allyloxy-9,9-dimethyldodeca-1,11-diene-6-yne-4,4-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.151137158 u |
| Formula |
C23H33BrO5 |
| InChI |
InChI=1S/C23H33BrO5/c1-8-14-22(6,7)19(29-16-9-2)13-12-15-23(17-18(5)24,20(25)27-10-3)21(26)28-11-4/h8-9,19H,1-2,5,10-11,14-17H2,3-4,6-7H3 |
| InChIKey |
UCMKXEFHHMUBIS-UHFFFAOYSA-N |
| Molecular Weight |
469.416 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(C(CC=C)(C)C)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904489 |
