| SpectraBase Compound ID | DF8701SgAbe |
|---|---|
| InChI | InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
| InChIKey | UIYKSYBJKIMANV-UHFFFAOYSA-N |
| Mol Weight | 180.31 g/mol |
| Molecular Formula | C11H16S |
| Exact Mass | 180.097272 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | E775IDUkBRA |
|---|---|
| Name | 4-Tert-butylbenzyl mercaptan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.097271689 u |
| Formula | C11H16S |
| InChI | InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
| InChIKey | UIYKSYBJKIMANV-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | C(C)(C)(C)C1=CC=C(CS)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.960901 |