SpectraBase Compound ID | GV40xtRQEIa |
---|---|
InChI | InChI=1S/C11H14N2OS/c1-2-14-10-6-4-3-5-9(10)13-11-12-7-8-15-11/h3-6H,2,7-8H2,1H3,(H,12,13) |
InChIKey | IEZMYQWDZMERPS-UHFFFAOYSA-N |
Mol Weight | 222.31 g/mol |
Molecular Formula | C11H14N2OS |
Exact Mass | 222.082684 g/mol |
SpectraBase Spectrum ID | JQ1apGd4uvt |
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Name | 2-(o-Phenetidino)-2-thiazoline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 222.082684252 u |
Formula | C11H14N2OS |
InChI | InChI=1S/C11H14N2OS/c1-2-14-10-6-4-3-5-9(10)13-11-12-7-8-15-11/h3-6H,2,7-8H2,1H3,(H,12,13) |
InChIKey | IEZMYQWDZMERPS-UHFFFAOYSA-N |
Molecular Weight | 222.306 g/mol |
SMILES | N(C1=NCCS1)C1=CC=CC=C1OCC |
Spectrum/Structure Validation Score (Raman) | 0.937881 |