SpectraBase Compound ID | 3w4dpKl58fs |
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InChI | InChI=1S/C12H25N/c1-4-7-8-12(11-9-10-11)13(5-2)6-3/h11-12H,4-10H2,1-3H3 |
InChIKey | OLGGBVWWNOTPJK-UHFFFAOYSA-N |
Mol Weight | 183.34 g/mol |
Molecular Formula | C12H25N |
Exact Mass | 183.1987 g/mol |
SpectraBase Spectrum ID | 2NCNjMb0Pou |
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Name | N,N-Diethyl-1-cyclopropyl-pentanamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 183.198699809 u |
Formula | C12H25N |
InChI | InChI=1S/C12H25N/c1-4-7-8-12(11-9-10-11)13(5-2)6-3/h11-12H,4-10H2,1-3H3 |
InChIKey | OLGGBVWWNOTPJK-UHFFFAOYSA-N |
Molecular Weight | 183.339 g/mol |
SMILES | C(CCC(C1CC1)N(CC)CC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905799 |