SpectraBase Compound ID | 2FEuqHKO770 |
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InChI | InChI=1S/C12H15NO2S/c1-14-11-4-2-10(3-5-11)12(16)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3 |
InChIKey | KJJBWKVNOLDBAY-UHFFFAOYSA-N |
Mol Weight | 237.32 g/mol |
Molecular Formula | C12H15NO2S |
Exact Mass | 237.08235 g/mol |
SpectraBase Spectrum ID | Bm692y8juGl |
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Name | 4-(Thio-p-anisoyl)morpholine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 237.082349899 u |
Formula | C12H15NO2S |
InChI | InChI=1S/C12H15NO2S/c1-14-11-4-2-10(3-5-11)12(16)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3 |
InChIKey | KJJBWKVNOLDBAY-UHFFFAOYSA-N |
Molecular Weight | 237.317 g/mol |
SMILES | C=1C(=CC=C(C1)OC)C(N1CCOCC1)=S |
Spectrum/Structure Validation Score (Raman) | 0.955544 |