SpectraBase Spectrum ID |
7q7tmvoVGju |
Name |
3-Dibromoethenyl-1-methyl-1,2-cyclopropanedicarboxylic acid, dimethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
353.910234862 u |
Formula |
C10H12Br2O4 |
InChI |
InChI=1S/C10H12Br2O4/c1-10(9(14)16-3)5(4-6(11)12)7(10)8(13)15-2/h4-5,7H,1-3H3 |
InChIKey |
KURJAVMQCJSUTI-UHFFFAOYSA-N |
Molecular Weight |
356.010 g/mol |
SMILES |
C1(C(OC)=O)C(C=C(Br)Br)C1(C(OC)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961564 |