| SpectraBase Compound ID | 29qMS70p1w7 |
|---|---|
| InChI | InChI=1S/C16H25NO3S/c1-11(2)16(20-19)8-7-15(4,17-10-21)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 | RNTDOFFXRNYXPF-OJLVUWQFSA-N |
| Mol Weight | 311.44 g/mol |
| Molecular Formula | C16H25NO3S |
| Exact Mass | 311.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsQlVkB2hZu |
|---|---|
| Name | AXINISOTHIOCYANATE_H |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H25NO3S |
| InChI | InChI=1S/C16H25NO3S/c1-11(2)16(20-19)8-7-15(4,17-10-21)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 | RNTDOFFXRNYXPF-OJLVUWQFSA-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 | 311.439 g/mol |
| Sample ID | 28200 |
| Solvent | CDCl3 |