| SpectraBase Compound ID | 8B1N8nWuy8t |
|---|---|
| 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-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 | 925gMPsmg3o |
|---|---|
| Name | AXINISOTHIOCYANATE_A |
| Compound Number | 1 |
| 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-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 | 28192 |
| Solvent | CDCl3 |