SpectraBase Compound ID | E70KRECJFtu |
---|---|
InChI | InChI=1S/C6H13N3S/c1-7-4-8(2)6(10)9(3)5-7/h4-5H2,1-3H3 |
InChIKey | HDYDRQSACZXCAY-UHFFFAOYSA-N |
Mol Weight | 159.25 g/mol |
Molecular Formula | C6H13N3S |
Exact Mass | 159.083019 g/mol |
SpectraBase Spectrum ID | FKKpKvHewpX |
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Name | Tetrahydro-1,3,5-trimethyl-S-triazine-2(1H)-thione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 159.083018605 u |
Formula | C6H13N3S |
InChI | InChI=1S/C6H13N3S/c1-7-4-8(2)6(10)9(3)5-7/h4-5H2,1-3H3 |
InChIKey | HDYDRQSACZXCAY-UHFFFAOYSA-N |
Molecular Weight | 159.251 g/mol |
SMILES | C1N(C(N(CN1C)C)=S)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899819 |