| SpectraBase Spectrum ID |
2oxDdr93YTE |
| Name |
2-Allyl-2-[(2-bromo-3-methylene-cyclopenten-1-yl)methyl]malonic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.046672088 u |
| Formula |
C15H19BrO4 |
| InChI |
InChI=1S/C15H19BrO4/c1-5-8-15(13(17)19-3,14(18)20-4)9-11-7-6-10(2)12(11)16/h5H,1-2,6-9H2,3-4H3 |
| InChIKey |
VLJBNCKIRDDGSL-UHFFFAOYSA-N |
| Molecular Weight |
343.217 g/mol |
| SMILES |
C(CC1=C(C(=C)CC1)Br)(C(=O)OC)(C(=O)OC)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887684 |
![2-Allyl-2-[(2-bromo-3-methylene-cyclopenten-1-yl)methyl]malonic acid dimethyl ester](/api/spectrum/2oxDdr93YTE/structure.png?h=300&w=458 "2-Allyl-2-[(2-bromo-3-methylene-cyclopenten-1-yl)methyl]malonic acid dimethyl ester")
