SpectraBase Compound ID | AlYHK6P6our |
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InChI | InChI=1S/C11H15NS/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7,10,12H,1-3H3 |
InChIKey | BPLXPXUBPORTAD-UHFFFAOYSA-N |
Mol Weight | 193.31 g/mol |
Molecular Formula | C11H15NS |
Exact Mass | 193.092521 g/mol |
SpectraBase Spectrum ID | Ktz8CTH7Irw |
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Name | 2-Tert-butyl-2,3-dihydro-1,3-benzothiazole |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 193.092520661 u |
Formula | C11H15NS |
InChI | InChI=1S/C11H15NS/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7,10,12H,1-3H3 |
InChIKey | BPLXPXUBPORTAD-UHFFFAOYSA-N |
Molecular Weight | 193.308 g/mol |
SMILES | C1(NC2=CC=CC=C2S1)C(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928265 |