SpectraBase Compound ID | AEw26Qokbww |
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InChI | InChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-9-14-10-7-11-15-12-13/h13-15H,2-12H2,1H3 |
InChIKey | OFPMSWKVQNUTSL-UHFFFAOYSA-N |
Mol Weight | 212.38 g/mol |
Molecular Formula | C13H28N2 |
Exact Mass | 212.225249 g/mol |
SpectraBase Spectrum ID | BM85aPgMThP |
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Name | 7-Methyl-1,5-diazacyclotetradecane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 212.225248910 u |
Formula | C13H28N2 |
InChI | InChI=1S/C13H28N2/c1-13-8-5-3-2-4-6-9-14-10-7-11-15-12-13/h13-15H,2-12H2,1H3 |
InChIKey | OFPMSWKVQNUTSL-UHFFFAOYSA-N |
Molecular Weight | 212.381 g/mol |
SMILES | C1CCNCC(C)CCCCCCCN1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92878 |