| SpectraBase Spectrum ID |
60OmBlXG20W |
| Name |
Diethyl 2-bromo-11-methyl-1,11-dodecadiene-6-yne-4,4-dicarbocxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.109272345 u |
| Formula |
C19H27BrO4 |
| InChI |
InChI=1S/C19H27BrO4/c1-6-23-17(21)19(14-16(5)20,18(22)24-7-2)13-11-9-8-10-12-15(3)4/h3,5-8,10,12-14H2,1-2,4H3 |
| InChIKey |
GNOPFTMGEHQTKM-UHFFFAOYSA-N |
| Molecular Weight |
399.325 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(CC(=C)Br)CC#CCCCC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961837 |
