| SpectraBase Compound ID | 4K1Odx2VGy8 |
|---|---|
| InChI | InChI=1S/C16H25NOS/c1-11(2)12-5-8-16(4,17-10-19)14-6-7-15(3,18)9-13(12)14/h9,11-12,14,18H,5-8H2,1-4H3/t12-,14+,15+,16-/m0/s1 |
| InChIKey | RDQPBBPUCUTPAG-XZDPQHSOSA-N |
| Mol Weight | 279.44 g/mol |
| Molecular Formula | C16H25NOS |
| Exact Mass | 279.165686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4GcJuQzUgn |
|---|---|
| Name | AXINISOTHIOCYANATE_J |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H25NOS |
| InChI | InChI=1S/C16H25NOS/c1-11(2)12-5-8-16(4,17-10-19)14-6-7-15(3,18)9-13(12)14/h9,11-12,14,18H,5-8H2,1-4H3/t12-,14+,15+,16-/m0/s1 |
| InChIKey | RDQPBBPUCUTPAG-XZDPQHSOSA-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 | 279.441 g/mol |
| Sample ID | 28199 |
| Solvent | CDCl3 |