| SpectraBase Spectrum ID |
IPpCmOrJge1 |
| Name |
1,1-Dimethyl 2-[2-bromoethenyl]cyclopropane-1,1-dicarboxylate (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.984071830 u |
| Formula |
C9H11BrO4 |
| InChI |
InChI=1S/C9H11BrO4/c1-13-7(11)9(8(12)14-2)5-6(9)3-4-10/h3-4,6H,5H2,1-2H3/b4-3+ |
| InChIKey |
MWGKIRRURUMTMQ-ONEGZZNKSA-N |
| Molecular Weight |
263.087 g/mol |
| SMILES |
C1(\C=C\Br)CC1(C(OC)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976989 |
![1,1-Dimethyl 2-[2-bromoethenyl]cyclopropane-1,1-dicarboxylate (isomer 1)](/api/spectrum/IPpCmOrJge1/structure.png?h=300&w=458 "1,1-Dimethyl 2-[2-bromoethenyl]cyclopropane-1,1-dicarboxylate (isomer 1)")
