| SpectraBase Spectrum ID |
CBaTfwxlVqz |
| Name |
3-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2,2,4-trimethyl-1,3-dioxolane-4-yl) azulene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30ClNO6S |
| InChI |
InChI=1S/C27H30ClNO6S/c1-26(2)34-17-27(3,35-26)19-7-13-22-18(16-24(25(30)31)23(22)14-8-19)6-4-5-15-29-36(32,33)21-11-9-20(28)10-12-21/h7-14,16,29H,4-6,15,17H2,1-3H3,(H,30,31) |
| InChIKey |
GSVHRAXFXZXAQB-UHFFFAOYSA-N |
| Molecular Weight |
532.051 g/mol |
| SMILES |
N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2c(c(C(=O)O)c1)ccc(cc2)C1(OC(C)(C)OC1)C |
| SPLASH |
splash10-03di-0900000000-d6dbb072ff725ddb1a9e |
| Source of Spectrum |
G2-4-587-18 |
| Wiley ID |
1661509 |
![3-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2,2,4-trimethyl-1,3-dioxolane-4-yl) azulene-1-carboxylic acid](/api/spectrum/CBaTfwxlVqz/structure.png?h=300&w=458 "3-[4-(4-Chlorobenzenesulfonylamino)butyl]-6-(2,2,4-trimethyl-1,3-dioxolane-4-yl) azulene-1-carboxylic acid")
