| SpectraBase Compound ID | IxVb3jAvvBe |
|---|---|
| InChI | InChI=1S/C13H20O/c1-9(2)10-7-6-8-11(12(10)14)13(3,4)5/h6-9,14H,1-5H3 |
| InChIKey | LBLLGKZRDSWOJS-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KNWcvAz77wH |
|---|---|
| Name | 2-Tert-butyl-6-isopropylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-9(2)10-7-6-8-11(12(10)14)13(3,4)5/h6-9,14H,1-5H3 |
| InChIKey | LBLLGKZRDSWOJS-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | OC=1C(=CC=CC1C(C)(C)C)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.978933 |