![Spiro[4.5]decan-2-one, 1,1-dimethyl-](/api/spectrum/1txxQ8B7H3S/structure.png?h=300&w=458 "Spiro[4.5]decan-2-one, 1,1-dimethyl-")
| SpectraBase Compound ID | 6AQbFnxDm4J |
|---|---|
| InChI | InChI=1S/C12H20O/c1-11(2)10(13)6-9-12(11)7-4-3-5-8-12/h3-9H2,1-2H3 |
| InChIKey | SSVSGBNVAIEIQL-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1txxQ8B7H3S |
|---|---|
| Name | Spiro[4.5]decan-2-one, 1,1-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-11(2)10(13)6-9-12(11)7-4-3-5-8-12/h3-9H2,1-2H3 |
| InChIKey | SSVSGBNVAIEIQL-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C1(C2(CCC1=O)CCCCC2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932992 |