SpectraBase Compound ID | 9p7beOiUpwY |
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InChI | InChI=1S/C11H17NS/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h6H,1-5,7-9H2 |
InChIKey | FKTWIPXGFGYUJZ-UHFFFAOYSA-N |
Mol Weight | 195.32 g/mol |
Molecular Formula | C11H17NS |
Exact Mass | 195.108171 g/mol |
SpectraBase Spectrum ID | 8u7VnbcvY7m |
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Name | Cyclohex-1-enyl-pyrrolidin-1-ylmethanethione |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 195.108170725 u |
Formula | C11H17NS |
InChI | InChI=1S/C11H17NS/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h6H,1-5,7-9H2 |
InChIKey | FKTWIPXGFGYUJZ-UHFFFAOYSA-N |
Molecular Weight | 195.324 g/mol |
SMILES | C(=S)(N1CCCC1)C1=CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91301 |