| SpectraBase Compound ID | 4xiWKSRRWOC |
|---|---|
| InChI | InChI=1S/C14H22/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h8-11H,5-7H2,1-4H3 |
| InChIKey | BDSMPLDBKOVNHW-UHFFFAOYSA-N |
| Mol Weight | 190.33 g/mol |
| Molecular Formula | C14H22 |
| Exact Mass | 190.172151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AykaLQpRHb0 |
|---|---|
| Name | 4-Tert-butyl-1-N-butylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.172150708 u |
| Formula | C14H22 |
| InChI | InChI=1S/C14H22/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h8-11H,5-7H2,1-4H3 |
| InChIKey | BDSMPLDBKOVNHW-UHFFFAOYSA-N |
| Molecular Weight | 190.330 g/mol |
| SMILES | C=1(C(C)(C)C)C=CC(=CC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965889 |