SpectraBase Compound ID | 2x7HKRlWA51 |
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InChI | InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+ |
InChIKey | XLRPYZSEQKXZAA-OCAPTIKFSA-N |
Mol Weight | 125.21 g/mol |
Molecular Formula | C8H15N |
Exact Mass | 125.120449 g/mol |
SpectraBase Spectrum ID | 5ZVTep3mj9Z |
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Name | Tropane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 125.120449487 u |
Formula | C8H15N |
InChI | InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+ |
InChIKey | XLRPYZSEQKXZAA-OCAPTIKFSA-N |
Molecular Weight | 125.215 g/mol |
SMILES | [C@@]12(N([C@@](CCC2)(CC1)[H])C)[H] |
Spectrum/Structure Validation Score (Raman) | 0.967723 |