![6-Spiro[2.4]heptanecarboxaldehyde](/api/spectrum/DBrbR5huMKL/structure.png?h=300&w=458 "6-Spiro[2.4]heptanecarboxaldehyde")
| SpectraBase Compound ID | GS8d60okceB |
|---|---|
| InChI | InChI=1S/C8H12O/c9-6-7-1-2-8(5-7)3-4-8/h6-7H,1-5H2 |
| InChIKey | ZKFWCKNTKRFYSV-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DBrbR5huMKL |
|---|---|
| Name | 6-Spiro[2.4]heptanecarboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c9-6-7-1-2-8(5-7)3-4-8/h6-7H,1-5H2 |
| InChIKey | ZKFWCKNTKRFYSV-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C12(CC2)CC(C=O)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971509 |