SpectraBase Compound ID | KQt1Ny3EBjE |
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InChI | InChI=1S/C10H20BrNO/c1-3-5-6-9(4-2)8-12-10(13)7-11/h9H,3-8H2,1-2H3,(H,12,13) |
InChIKey | FTYPZJUOXZNGDV-UHFFFAOYSA-N |
Mol Weight | 250.18 g/mol |
Molecular Formula | C10H20BrNO |
Exact Mass | 249.072827 g/mol |
SpectraBase Spectrum ID | 3Ea8L7pChIJ |
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Name | Bromacetamide, N-(2-ethylhexyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 249.072827267 u |
Formula | C10H20BrNO |
InChI | InChI=1S/C10H20BrNO/c1-3-5-6-9(4-2)8-12-10(13)7-11/h9H,3-8H2,1-2H3,(H,12,13) |
InChIKey | FTYPZJUOXZNGDV-UHFFFAOYSA-N |
Molecular Weight | 250.180 g/mol |
SMILES | C(C(=O)NCC(CCCC)CC)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981354 |