SpectraBase Compound ID | BDCuM32dM8D |
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InChI | InChI=1S/C9H20N2/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3 |
InChIKey | ZXVWFOMYPHVUGO-UHFFFAOYSA-N |
Mol Weight | 156.27 g/mol |
Molecular Formula | C9H20N2 |
Exact Mass | 156.162649 g/mol |
SpectraBase Spectrum ID | L5t0qUeIpMM |
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Name | 4-Amino-1-isobutylpiperidine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 156.162648652 u |
Formula | C9H20N2 |
InChI | InChI=1S/C9H20N2/c1-8(2)7-11-5-3-9(10)4-6-11/h8-9H,3-7,10H2,1-2H3 |
InChIKey | ZXVWFOMYPHVUGO-UHFFFAOYSA-N |
Molecular Weight | 156.273 g/mol |
SMILES | C1(N)CCN(CC1)CC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960793 |