SpectraBase Compound ID | 4WNfva7Cp5K |
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InChI | InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3 |
InChIKey | FTJHYGJLHCGQHQ-UHFFFAOYSA-N |
Mol Weight | 193.13 g/mol |
Molecular Formula | C8H17Br |
Exact Mass | 192.051364 g/mol |
SpectraBase Spectrum ID | RDqJWL761w |
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Name | 2-Bromooctane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 192.051363547 u |
Formula | C8H17Br |
InChI | InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3 |
InChIKey | FTJHYGJLHCGQHQ-UHFFFAOYSA-N |
Molecular Weight | 193.128 g/mol |
SMILES | C(CC)CCCC(C)Br |
Spectrum/Structure Validation Score (Raman) | 0.985579 |