| SpectraBase Spectrum ID |
B7PuZyPShRu |
| Name |
dimethyl 3-(1,3-dithiolanyl)azulene-1,2-dicarboxylate |
| Alternate Name(s) |
dimethyl 3-(1,3-dithiolan-2-yl)-1,2-azulenedicarboxylate |
| CAS Registry Number |
111410-60-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O4S2 |
| InChI |
InChI=1S/C17H16O4S2/c1-20-15(18)12-10-6-4-3-5-7-11(10)13(14(12)16(19)21-2)17-22-8-9-23-17/h3-7,17H,8-9H2,1-2H3 |
| InChIKey |
IJECXDPIEQVNMT-UHFFFAOYSA-N |
| Molecular Weight |
348.431 g/mol |
| SMILES |
c1(c(c(C2SCCS2)c2c1ccccc2)C(=O)OC)C(=O)OC |
| SPLASH |
splash10-000i-0091000000-bac2dd8c824c82c4680b |
| Source of Spectrum |
K-121-495-3 |
| Wiley ID |
1340441 |
