![BIS-[(S)-(-)-1-(TERT.-BUTYLAMMONIUM)-3-(ORTHO-CYCLOPENTYLPHENOXY)-2-PROPANOL]-SULFATE;PENBUTULOLSULFATE](/api/spectrum/88art96wh5H/structure.png?h=300&w=458 "BIS-[(S)-(-)-1-(TERT.-BUTYLAMMONIUM)-3-(ORTHO-CYCLOPENTYLPHENOXY)-2-PROPANOL]-SULFATE;PENBUTULOLSULFATE")
| SpectraBase Compound ID | CUhyyGjHVhs |
|---|---|
| InChI | InChI=1S/C18H29NO2.H2O4S/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/p-1 |
| InChIKey | KTXVDQNRHZQBOR-UHFFFAOYSA-M |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C18H30NO6S |
| Exact Mass | 388.179384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88art96wh5H |
|---|---|
| Name | BIS-[(S)-(-)-1-(TERT.-BUTYLAMMONIUM)-3-(ORTHO-CYCLOPENTYLPHENOXY)-2-PROPANOL]-SULFATE;PENBUTULOLSULFATE |
| Compound Number | 1984 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H30NO6S |
| InChI | InChI=1S/C18H29NO2.H2O4S/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;1-5(2,3)4/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;(H2,1,2,3,4)/p-1 |
| InChIKey | KTXVDQNRHZQBOR-UHFFFAOYSA-M |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 388.499 g/mol |
| Sample ID | 287 |
| Solvent | CDCl3 |