| SpectraBase Compound ID | 3pnn95ko27U |
|---|---|
| InChI | InChI=1S/C16H25NO2S/c1-11(2)16(19)8-7-15(4,17-10-20)12-5-6-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14+,15+,16+/m1/s1 |
| InChIKey | ZUDSVIIZJCRBTA-OEAJRASXSA-N |
| Mol Weight | 295.44 g/mol |
| Molecular Formula | C16H25NO2S |
| Exact Mass | 295.1606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6f8IZGCVPq |
|---|---|
| Name | AXINISOTHIOCYANATE_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H25NO2S |
| InChI | InChI=1S/C16H25NO2S/c1-11(2)16(19)8-7-15(4,17-10-20)12-5-6-14(3,18)9-13(12)16/h9,11-12,18-19H,5-8H2,1-4H3/t12-,14+,15+,16+/m1/s1 |
| InChIKey | ZUDSVIIZJCRBTA-OEAJRASXSA-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 | 28196 |
| Solvent | C5D5N |