SpectraBase Compound ID | 7WstU0NZwfU |
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InChI | InChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17) |
InChIKey | RMTOFKWPCZJSGD-UHFFFAOYSA-N |
Mol Weight | 241.42 g/mol |
Molecular Formula | C15H31NO |
Exact Mass | 241.240565 g/mol |
SpectraBase Spectrum ID | G1n29KpuMGe |
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Name | 6-Acetamidotridecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 241.240564621 u |
Formula | C15H31NO |
InChI | InChI=1S/C15H31NO/c1-4-6-8-9-11-13-15(16-14(3)17)12-10-7-5-2/h15H,4-13H2,1-3H3,(H,16,17) |
InChIKey | RMTOFKWPCZJSGD-UHFFFAOYSA-N |
Molecular Weight | 241.419 g/mol |
SMILES | C(NC(=O)C)(CCCCC)CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942804 |