SpectraBase Compound ID | yyM6NPAfEl |
---|---|
InChI | InChI=1S/C9H12O2/c1-7-8(10)11-9(7)5-3-2-4-6-9/h1-6H2 |
InChIKey | IEXXWUZSVNFHGM-UHFFFAOYSA-N |
Mol Weight | 152.19 g/mol |
Molecular Formula | C9H12O2 |
Exact Mass | 152.08373 g/mol |
SpectraBase Spectrum ID | 5f2raV5NFXo |
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Name | 1-Oxaspiro[3.5]nonan-2-one, 3-methylene- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.083729624 u |
Formula | C9H12O2 |
InChI | InChI=1S/C9H12O2/c1-7-8(10)11-9(7)5-3-2-4-6-9/h1-6H2 |
InChIKey | IEXXWUZSVNFHGM-UHFFFAOYSA-N |
Molecular Weight | 152.193 g/mol |
SMILES | C1CCCCC11OC(C1=C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954673 |