| SpectraBase Compound ID | IEWZQTxII1m |
|---|---|
| InChI | InChI=1S/C8H16N2S/c1-8(2,3)10-6-4-5-9-7(10)11/h4-6H2,1-3H3,(H,9,11) |
| InChIKey | NNHIUCPGSOSBPA-UHFFFAOYSA-N |
| Mol Weight | 172.29 g/mol |
| Molecular Formula | C8H16N2S |
| Exact Mass | 172.10342 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AhXPnnV8S4U |
|---|---|
| Name | 1-Tert-butyltetrahydro-2(1H)-pyrimidinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.103419697 u |
| Formula | C8H16N2S |
| InChI | InChI=1S/C8H16N2S/c1-8(2,3)10-6-4-5-9-7(10)11/h4-6H2,1-3H3,(H,9,11) |
| InChIKey | NNHIUCPGSOSBPA-UHFFFAOYSA-N |
| SMILES | N1CCCN(C1=S)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.969126 |