| SpectraBase Compound ID | 6wPabvr2cGn |
|---|---|
| InChI | InChI=1S/C12H23N/c1-3-5-11-8-7-10(2)12-6-4-9-13(11)12/h10-12H,3-9H2,1-2H3 |
| InChIKey | QFUMJNWJDOYFMX-UHFFFAOYSA-N |
| Mol Weight | 181.32 g/mol |
| Molecular Formula | C12H23N |
| Exact Mass | 181.18305 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2MsjeAQTLzP |
|---|---|
| Name | Gephyrotoxin 181B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.183049745 u |
| Formula | C12H23N |
| InChI | InChI=1S/C12H23N/c1-3-5-11-8-7-10(2)12-6-4-9-13(11)12/h10-12H,3-9H2,1-2H3 |
| InChIKey | QFUMJNWJDOYFMX-UHFFFAOYSA-N |
| Molecular Weight | 181.323 g/mol |
| SMILES | C1(CCC(C2N1CCC2)C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800479 |