| SpectraBase Compound ID | 8sXwMBWzBGQ |
|---|---|
| InChI | InChI=1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2 |
| InChIKey | SDNSCXCXVQHBGH-UHFFFAOYSA-N |
| Mol Weight | 172.25 g/mol |
| Molecular Formula | C7H12N2OS |
| Exact Mass | 172.067034 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOVMB46PTO |
|---|---|
| Name | 2-Morpholinoethyl isothiocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.067034187 u |
| Formula | C7H12N2OS |
| InChI | InChI=1S/C7H12N2OS/c11-7-8-1-2-9-3-5-10-6-4-9/h1-6H2 |
| InChIKey | SDNSCXCXVQHBGH-UHFFFAOYSA-N |
| Molecular Weight | 172.246 g/mol |
| SMILES | C1OCCN(C1)CCN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948749 |