SpectraBase Compound ID | Hc07diI8Nrw |
---|---|
InChI | InChI=1S/C9H14O/c10-9-7-3-1-2-4-8(9)6-5-7/h7-8H,1-6H2/t7-,8+ |
InChIKey | MEIVKMYJXRVWKA-OCAPTIKFSA-N |
Mol Weight | 138.21 g/mol |
Molecular Formula | C9H14O |
Exact Mass | 138.104465 g/mol |
SpectraBase Spectrum ID | 66XnNNIgs87 |
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Name | Bicyclo[4.2.1]nonan-9-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 138.104465070 u |
Formula | C9H14O |
InChI | InChI=1S/C9H14O/c10-9-7-3-1-2-4-8(9)6-5-7/h7-8H,1-6H2/t7-,8+ |
InChIKey | MEIVKMYJXRVWKA-OCAPTIKFSA-N |
Molecular Weight | 138.210 g/mol |
SMILES | C1(=O)[C@]2(CC[C@@]1(CCCC2)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98271 |