SpectraBase Compound ID | 6M5iq6Lppz5 |
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InChI | InChI=1S/C6H12N2S/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9) |
InChIKey | OFNRWPJPKLGOSN-UHFFFAOYSA-N |
Mol Weight | 144.24 g/mol |
Molecular Formula | C6H12N2S |
Exact Mass | 144.07212 g/mol |
SpectraBase Spectrum ID | 6MQds2iYOFM |
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Name | 1-Ethyltetrahydro-2(1H)-pyrimidinethione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 144.072119568 u |
Formula | C6H12N2S |
InChI | InChI=1S/C6H12N2S/c1-2-8-5-3-4-7-6(8)9/h2-5H2,1H3,(H,7,9) |
InChIKey | OFNRWPJPKLGOSN-UHFFFAOYSA-N |
SMILES | N1CCCN(C1=S)CC |
Spectrum/Structure Validation Score (Raman) | 0.965903 |