| SpectraBase Compound ID | AJGphB11UX0 |
|---|---|
| InChI | InChI=1S/C23H37NO4S/c1-16(2)19-9-11-22(5,27)14-20(28-18(4)25)13-17(3)7-8-21(26)23(6,12-10-19)29-15-24/h9,11,13,16,19-21,26-27H,7-8,10,12,14H2,1-6H3/b11-9+,17-13+/t19-,20-,21-,22+,23-/m0/s1 |
| InChIKey | LMDUSAACXMMYTD-SRHANZHXSA-N |
| Mol Weight | 423.6 g/mol |
| Molecular Formula | C23H37NO4S |
| Exact Mass | 423.24433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IE1yZJ5IWfa |
|---|---|
| Name | BETA-HYDROXY-THIOCYANATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H37NO4S |
| InChI | InChI=1S/C23H37NO4S/c1-16(2)19-9-11-22(5,27)14-20(28-18(4)25)13-17(3)7-8-21(26)23(6,12-10-19)29-15-24/h9,11,13,16,19-21,26-27H,7-8,10,12,14H2,1-6H3/b11-9+,17-13+/t19-,20-,21-,22+,23-/m0/s1 |
| InChIKey | LMDUSAACXMMYTD-SRHANZHXSA-N |
| Literature Reference Author | K.A.ELSAYED,S.LAPHOOKHIEO,M.YOUSAF,J.A.PRESTRIDGE,A.B.SHIROD E,V.B.WALI,P.W.SYLVE |
| Literature Reference Citation | J.NAT.PROD.,71,117(2008) |
| Literature Reference DOI | 10.1021/np0704351 |
| Molecular Weight | 423.611 g/mol |
| Sample ID | 27255 |
| Solvent | CDCl3 |