![Spiro[4.5]decan-2-one, 1,4-dimethyl-, trans-](/api/spectrum/6pqUtsJA69v/structure.png?h=300&w=458 "Spiro[4.5]decan-2-one, 1,4-dimethyl-, trans-")
| SpectraBase Compound ID | 4oYTPc6tLUy |
|---|---|
| InChI | InChI=1S/C12H20O/c1-9-8-11(13)10(2)12(9)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3 |
| InChIKey | UXMJTFFYYMOISA-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 | 6pqUtsJA69v |
|---|---|
| Name | Spiro[4.5]decan-2-one, 1,4-dimethyl-, trans- |
| 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/c1-9-8-11(13)10(2)12(9)6-4-3-5-7-12/h9-10H,3-8H2,1-2H3 |
| InChIKey | UXMJTFFYYMOISA-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C12(C(C(=O)CC2C)C)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817928 |