| SpectraBase Compound ID | ExlLNFseFuQ |
|---|---|
| InChI | InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3 |
| InChIKey | QOWZBQAJZICMKD-UHFFFAOYSA-N |
| Mol Weight | 161.25 g/mol |
| Molecular Formula | C11H15N |
| Exact Mass | 161.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E0B5KPPJsTW |
|---|---|
| Name | Isoquinoline, 1,2,3,4-tetrahydro-4,4-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.120449487 u |
| Formula | C11H15N |
| InChI | InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3 |
| InChIKey | QOWZBQAJZICMKD-UHFFFAOYSA-N |
| Molecular Weight | 161.248 g/mol |
| SMILES | C1NCC2=C(C1(C)C)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970873 |