SpectraBase Compound ID | 2Kvy8Sxsc2X |
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InChI | InChI=1S/C16H33Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16H,3-15H2,1-2H3 |
InChIKey | YEEOQXDOVBYNDC-UHFFFAOYSA-N |
Mol Weight | 305.3 g/mol |
Molecular Formula | C16H33Br |
Exact Mass | 304.176564 g/mol |
SpectraBase Spectrum ID | 6V2ns5VOaL3 |
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Name | 2-Bromohexadecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 304.176564063 u |
Formula | C16H33Br |
InChI | InChI=1S/C16H33Br/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16H,3-15H2,1-2H3 |
InChIKey | YEEOQXDOVBYNDC-UHFFFAOYSA-N |
Molecular Weight | 305.344 g/mol |
SMILES | C(CCCCCCCCCCCC)CC(C)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903422 |