SpectraBase Compound ID | 3s4KUOVGDXi |
---|---|
InChI | InChI=1S/C16H33N3O/c1-4-5-6-7-8-9-12-19-13-10-11-15(14-19)17-16(20)18(2)3/h15H,4-14H2,1-3H3,(H,17,20) |
InChIKey | WVGNKXQOEKWYAR-UHFFFAOYSA-N |
Mol Weight | 283.5 g/mol |
Molecular Formula | C16H33N3O |
Exact Mass | 283.262363 g/mol |
SpectraBase Spectrum ID | KC9iqORfG7G |
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Name | 1,1-Dimethyl-3-(1-octyl-3-piperidyl)urea |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 283.262362694 u |
Formula | C16H33N3O |
InChI | InChI=1S/C16H33N3O/c1-4-5-6-7-8-9-12-19-13-10-11-15(14-19)17-16(20)18(2)3/h15H,4-14H2,1-3H3,(H,17,20) |
InChIKey | WVGNKXQOEKWYAR-UHFFFAOYSA-N |
SMILES | N(C1CCCN(C1)CCCCCCCC)C(N(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.950529 |