SpectraBase Compound ID | 2ItZcI5y7Nb |
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InChI | InChI=1S/C9H16O/c1-2-4-6-8-9(10-8)7-5-3-1/h8-9H,1-7H2/t8-,9-/m1/s1 |
InChIKey | REXZYVQYOOPWQD-RKDXNWHRSA-N |
Mol Weight | 140.23 g/mol |
Molecular Formula | C9H16O |
Exact Mass | 140.120115 g/mol |
SpectraBase Spectrum ID | LB5SzmUFhlp |
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Name | Trans-cyclononene oxide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 140.120115134 u |
Formula | C9H16O |
InChI | InChI=1S/C9H16O/c1-2-4-6-8-9(10-8)7-5-3-1/h8-9H,1-7H2/t8-,9-/m1/s1 |
InChIKey | REXZYVQYOOPWQD-RKDXNWHRSA-N |
Molecular Weight | 140.226 g/mol |
SMILES | [C@@]12(O[C@@]1(CCCCCCC2)[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909629 |