| SpectraBase Spectrum ID |
98lvvNM8YL4 |
| Name |
4-octyl-10-(p-tolylsulfonyl)-1,7-dioxa-4,10-diazacyclododecane |
| Alternate Name(s) |
4-octyl-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 |
C23H40N2O4S |
| InChI |
InChI=1S/C23H40N2O4S/c1-3-4-5-6-7-8-13-24-14-18-28-20-16-25(17-21-29-19-15-24)30(26,27)23-11-9-22(2)10-12-23/h9-12H,3-8,13-21H2,1-2H3 |
| InChIKey |
JVSJPKWLGDAMFP-UHFFFAOYSA-N |
| Molecular Weight |
440.643 g/mol |
| SMILES |
C1N(S(c2ccc(cc2)C)(=O)=O)CCOCCN(CCOC1)CCCCCCCC |
| SPLASH |
splash10-0006-0009100000-fb5e07e52220784c8750 |
| Source of Spectrum |
J-59-3819-19 |
| Wiley ID |
1384636 |
