SpectraBase Compound ID | 72wcZevVzkl |
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InChI | InChI=1S/C16H25NO2S/c1-10(2)11-5-7-15(3,17-9-20)12-6-8-16(4,19)14(18)13(11)12/h10,12,14,18-19H,5-8H2,1-4H3/t12-,14+,15-,16-/m1/s1 |
InChIKey | KMKVJTMIHMKYBS-SLBVQIDZSA-N |
Mol Weight | 295.44 g/mol |
Molecular Formula | C16H25NO2S |
Exact Mass | 295.1606 g/mol |
SpectraBase Spectrum ID | Gx0ufTpluso |
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Name | AXINISOTHIOCYANATE_C |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C16H25NO2S |
InChI | InChI=1S/C16H25NO2S/c1-10(2)11-5-7-15(3,17-9-20)12-6-8-16(4,19)14(18)13(11)12/h10,12,14,18-19H,5-8H2,1-4H3/t12-,14+,15-,16-/m1/s1 |
InChIKey | KMKVJTMIHMKYBS-SLBVQIDZSA-N |
Literature Reference Author | E.ZUBIA,M.J.ORTEGA,C.J.HERNANDEZ-GUERRERO,J.L.CARBALLO |
Literature Reference Citation | J.NAT.PROD.,71,608(2008) |
Literature Reference DOI | 10.1021/np070593s |
Molecular Weight | 295.440 g/mol |
Sample ID | 28194 |
Solvent | CDCl3 |