| SpectraBase Spectrum ID |
8nEFhIU4eqE |
| Name |
Diethyl 2-BROMO8-hydroxy-9-methyldec-1-ene-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 |
388.088536900 u |
| Formula |
C17H25BrO5 |
| InChI |
InChI=1S/C17H25BrO5/c1-6-22-15(20)17(11-13(5)18,16(21)23-7-2)10-8-9-14(19)12(3)4/h12,14,19H,5-7,10-11H2,1-4H3 |
| InChIKey |
YAWIZTDUYNPPST-UHFFFAOYSA-N |
| Molecular Weight |
389.286 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CC(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932756 |
