SpectraBase Compound ID | DzNaH2dx1K9 |
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InChI | InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h5-6H2,1-3H3 |
InChIKey | RJSCZBRDRBIRHP-UHFFFAOYSA-N |
Mol Weight | 111.19 g/mol |
Molecular Formula | C7H13N |
Exact Mass | 111.104799 g/mol |
SpectraBase Spectrum ID | 6VoZVOIf7w3 |
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Name | Diethyl-prop-1-ynyl-amine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 111.104799423 u |
Formula | C7H13N |
InChI | InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h5-6H2,1-3H3 |
InChIKey | RJSCZBRDRBIRHP-UHFFFAOYSA-N |
Molecular Weight | 111.188 g/mol |
SMILES | C(N(CC)CC)#CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954638 |