| SpectraBase Compound ID | 63XdWnRGSSI |
|---|---|
| InChI | InChI=1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3 |
| InChIKey | AVYPEYYPGYMFDO-UHFFFAOYSA-N |
| Mol Weight | 246.44 g/mol |
| Molecular Formula | C18H30 |
| Exact Mass | 246.234751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Y57ScsxeTL |
|---|---|
| Name | Benzene, 1,3,5-tributyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.234750966 u |
| Formula | C18H30 |
| InChI | InChI=1S/C18H30/c1-4-7-10-16-13-17(11-8-5-2)15-18(14-16)12-9-6-3/h13-15H,4-12H2,1-3H3 |
| InChIKey | AVYPEYYPGYMFDO-UHFFFAOYSA-N |
| Molecular Weight | 246.438 g/mol |
| SMILES | C(CC1=CC(CCCC)=CC(=C1)CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963372 |