| SpectraBase Spectrum ID |
6jjQbdw3zkR |
| Name |
Methyl 3-[4-(4-chlorobenzenesuifonylamino)butyl]-6-(2,2,4-trimethyl-1,3-dioxolane-4-yl)azulene-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32ClNO6S |
| InChI |
InChI=1S/C28H32ClNO6S/c1-27(2)35-18-28(3,36-27)20-8-14-23-19(17-25(26(31)34-4)24(23)15-9-20)7-5-6-16-30-37(32,33)22-12-10-21(29)11-13-22/h8-15,17,30H,5-7,16,18H2,1-4H3 |
| InChIKey |
NNPNOBUNQRXHGR-UHFFFAOYSA-N |
| Molecular Weight |
546.078 g/mol |
| SMILES |
N(S(c1ccc(cc1)Cl)(=O)=O)CCCCc1c2c(c(c1)C(=O)OC)ccc(C1(OC(C)(C)OC1)C)cc2 |
| SPLASH |
splash10-03di-0900000000-d6dbb072ff725ddb1a9e |
| Source of Spectrum |
G2-4-586-17 |
| Wiley ID |
1661510 |
![Methyl 3-[4-(4-chlorobenzenesuifonylamino)butyl]-6-(2,2,4-trimethyl-1,3-dioxolane-4-yl)azulene-1-carboxylate](/api/spectrum/6jjQbdw3zkR/structure.png?h=300&w=458 "Methyl 3-[4-(4-chlorobenzenesuifonylamino)butyl]-6-(2,2,4-trimethyl-1,3-dioxolane-4-yl)azulene-1-carboxylate")
