SpectraBase Compound ID | 6hjpXOWdrvt |
---|---|
InChI | InChI=1S/C16H17NOS/c19-16(17-7-9-18-10-8-17)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2 |
InChIKey | WZNVFYJKLFXPFP-UHFFFAOYSA-N |
Mol Weight | 271.38 g/mol |
Molecular Formula | C16H17NOS |
Exact Mass | 271.103085 g/mol |
SpectraBase Spectrum ID | 1jTb8u6uWaf |
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Name | 4-[(2-Naphthyl)thioacetyl]morpholine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 271.103085344 u |
Formula | C16H17NOS |
InChI | InChI=1S/C16H17NOS/c19-16(17-7-9-18-10-8-17)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-6,11H,7-10,12H2 |
InChIKey | WZNVFYJKLFXPFP-UHFFFAOYSA-N |
SMILES | C=12C=CC=CC1C=CC(=C2)CC(N1CCOCC1)=S |
Spectrum/Structure Validation Score (Raman) | 0.820274 |