| SpectraBase Compound ID | 2mlm5SV2ElH |
|---|---|
| InChI | InChI=1S/C13H25N/c1-3-4-6-12-9-8-11(2)13-7-5-10-14(12)13/h11-13H,3-10H2,1-2H3 |
| InChIKey | OWFCFRADTKBTQN-UHFFFAOYSA-N |
| Mol Weight | 195.35 g/mol |
| Molecular Formula | C13H25N |
| Exact Mass | 195.1987 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8mqE25rUjl |
|---|---|
| Name | Gephyrotoxin 195B' |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.198699809 u |
| Formula | C13H25N |
| InChI | InChI=1S/C13H25N/c1-3-4-6-12-9-8-11(2)13-7-5-10-14(12)13/h11-13H,3-10H2,1-2H3 |
| InChIKey | OWFCFRADTKBTQN-UHFFFAOYSA-N |
| Molecular Weight | 195.350 g/mol |
| SMILES | C1(CCC(C2N1CCC2)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939513 |