| SpectraBase Spectrum ID |
LEUmPUGQHCe |
| Name |
4-octadecyl-10-(p-tolylsulfonyl)-1,7-dioxa-4,10-diazacyclododecane |
| Alternate Name(s) |
4-stearyl-10-tosyl-1,7-dioxa-4,10-diazacyclododecane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H60N2O4S |
| InChI |
InChI=1S/C33H60N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-24-28-38-30-26-35(27-31-39-29-25-34)40(36,37)33-21-19-32(2)20-22-33/h19-22H,3-18,23-31H2,1-2H3 |
| InChIKey |
HQIXVRJEEPLMAL-UHFFFAOYSA-N |
| Molecular Weight |
580.913 g/mol |
| SMILES |
C1N(S(c2ccc(cc2)C)(=O)=O)CCOCCN(CCOC1)CCCCCCCCCCCCCCCCCC |
| SPLASH |
splash10-004i-0000900000-02364214d6a0026176be |
| Source of Spectrum |
J-59-3819-21 |
| Wiley ID |
1408511 |
