SpectraBase Compound ID | 8rRMA8kGy1Z |
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InChI | InChI=1S/C8H19NS.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H |
InChIKey | UTPHRZRWMXLNIK-UHFFFAOYSA-N |
Mol Weight | 197.77 g/mol |
Molecular Formula | C8H20ClNS |
Exact Mass | 197.100499 g/mol |
SpectraBase Spectrum ID | Iw8eSJa6Vru |
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Name | 2-(Diisopropylamino)ethanethiol, hydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 197.100498522 u |
Formula | C8H20ClNS |
InChI | InChI=1S/C8H19NS.ClH/c1-7(2)9(5-6-10)8(3)4;/h7-8,10H,5-6H2,1-4H3;1H |
InChIKey | UTPHRZRWMXLNIK-UHFFFAOYSA-N |
SMILES | Cl.SCCN(C(C)C)C(C)C |
Spectrum/Structure Validation Score (Raman) | 0.985841 |