SpectraBase Compound ID | rqciwjrEqP |
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InChI | InChI=1S/C9H14O/c1-2-6-9-8(4-1)5-3-7-10-9/h4,9H,1-3,5-7H2 |
InChIKey | VOFYLORKFXLTER-UHFFFAOYSA-N |
Mol Weight | 138.21 g/mol |
Molecular Formula | C9H14O |
Exact Mass | 138.104465 g/mol |
SpectraBase Spectrum ID | 3UFQSYIPTXP |
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Name | 3,4,6,7,8,8A-Hexahydro-2H-chromene |
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/c1-2-6-9-8(4-1)5-3-7-10-9/h4,9H,1-3,5-7H2 |
InChIKey | VOFYLORKFXLTER-UHFFFAOYSA-N |
Molecular Weight | 138.210 g/mol |
SMILES | C1CCC2=CCCCC2O1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885592 |