SpectraBase Compound ID | 4hlMhXrIFAw |
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InChI | InChI=1S/C17H25N3S/c1-16(2)13-6-7-14(9-13)17(16,3)20-15(21)19-11-12-5-4-8-18-10-12/h4-5,8,10,13-14H,6-7,9,11H2,1-3H3,(H2,19,20,21) |
InChIKey | CJDLJNUIDIJGGK-UHFFFAOYSA-N |
Mol Weight | 303.47 g/mol |
Molecular Formula | C17H25N3S |
Exact Mass | 303.176919 g/mol |
SpectraBase Spectrum ID | 8cJcDRWdyQw |
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Name | 1-[(3-Pyridyl)methyl]-2-thio-3-(2,3,3-trimethyl-2-norbornyl)urea |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 303.176918991 u |
Formula | C17H25N3S |
InChI | InChI=1S/C17H25N3S/c1-16(2)13-6-7-14(9-13)17(16,3)20-15(21)19-11-12-5-4-8-18-10-12/h4-5,8,10,13-14H,6-7,9,11H2,1-3H3,(H2,19,20,21) |
InChIKey | CJDLJNUIDIJGGK-UHFFFAOYSA-N |
Molecular Weight | 303.468 g/mol |
SMILES | N(C1(C(C2CCC1C2)(C)C)C)C(NCC=1C=CC=NC1)=S |