SpectraBase Compound ID | GWzJuPmmhj1 |
---|---|
InChI | InChI=1S/C11H16OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
InChIKey | FWIQXERLOIUQBV-UHFFFAOYSA-N |
Mol Weight | 196.31 g/mol |
Molecular Formula | C11H16OS |
Exact Mass | 196.092186 g/mol |
SpectraBase Spectrum ID | GgUntTyWose |
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Name | [4-(Tert-butylsulfanyl)phenyl]methanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.092186308 u |
Formula | C11H16OS |
InChI | InChI=1S/C11H16OS/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3 |
InChIKey | FWIQXERLOIUQBV-UHFFFAOYSA-N |
Molecular Weight | 196.308 g/mol |
SMILES | C(C=1C=CC(=CC1)SC(C)(C)C)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865927 |