SpectraBase Compound ID | KVUPEosBKSE |
---|---|
InChI | InChI=1S/C5H10Br2/c1-2-5(7)3-4-6/h5H,2-4H2,1H3 |
InChIKey | SOZLNIPBRVQUOG-UHFFFAOYSA-N |
Mol Weight | 229.94 g/mol |
Molecular Formula | C5H10Br2 |
Exact Mass | 227.914926 g/mol |
SpectraBase Spectrum ID | 4AqPZukliZt |
---|---|
Name | Pentane, 1,3-dibromo- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.914926322 u |
Formula | C5H10Br2 |
InChI | InChI=1S/C5H10Br2/c1-2-5(7)3-4-6/h5H,2-4H2,1H3 |
InChIKey | SOZLNIPBRVQUOG-UHFFFAOYSA-N |
Molecular Weight | 229.943 g/mol |
SMILES | CCC(Br)CCBr |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833633 |