SpectraBase Compound ID | 3aDk3qjBwRK |
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InChI | InChI=1S/C8H14Br2/c1-6(2)5-7-3-4-8(7,9)10/h6-7H,3-5H2,1-2H3 |
InChIKey | NCOJKKYLCPVHHJ-UHFFFAOYSA-N |
Mol Weight | 270.01 g/mol |
Molecular Formula | C8H14Br2 |
Exact Mass | 267.946226 g/mol |
SpectraBase Spectrum ID | 4XW3DNs9UmJ |
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Name | 1,1-bis(Bromanyl)-2-(2-methylpropyl)cyclobutane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 267.946226451 u |
Formula | C8H14Br2 |
InChI | InChI=1S/C8H14Br2/c1-6(2)5-7-3-4-8(7,9)10/h6-7H,3-5H2,1-2H3 |
InChIKey | NCOJKKYLCPVHHJ-UHFFFAOYSA-N |
SMILES | C1(C(CC1)CC(C)C)(Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.878198 |