SpectraBase Compound ID | GzNsuor2gvb |
---|---|
InChI | InChI=1S/C10H18ClNOS/c11-5-3-1-2-4-10(13)12-6-8-14-9-7-12/h1-9H2 |
InChIKey | POBKRIPIXHLFHZ-UHFFFAOYSA-N |
Mol Weight | 235.77 g/mol |
Molecular Formula | C10H18ClNOS |
Exact Mass | 235.079763 g/mol |
SpectraBase Spectrum ID | AO9N0vUOqDp |
---|---|
Name | 4-(6-Chlorohexanoyl)thiomorpholine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 235.079763077 u |
Formula | C10H18ClNOS |
InChI | InChI=1S/C10H18ClNOS/c11-5-3-1-2-4-10(13)12-6-8-14-9-7-12/h1-9H2 |
InChIKey | POBKRIPIXHLFHZ-UHFFFAOYSA-N |
Molecular Weight | 235.773 g/mol |
SMILES | C1N(CCSC1)C(CCCCCCl)=O |
Spectrum/Structure Validation Score (Raman) | 0.980602 |