| SpectraBase Compound ID | 2KsiCmK5mTM |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-5-10-8-9-6-3-4-7-11(9)12(13)14-10/h8H,2-7H2,1H3 |
| InChIKey | FSHRJAHMEDCWMQ-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3KSD5RbrVYV |
|---|---|
| Name | 5,6,7,8-Tetrahydro-3-propylisocumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-2-5-10-8-9-6-3-4-7-11(9)12(13)14-10/h8H,2-7H2,1H3 |
| InChIKey | FSHRJAHMEDCWMQ-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(=O)OC(=CC=2CCCCC12)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954203 |