| SpectraBase Spectrum ID |
Cs5u6CdGHxt |
| Name |
1,3-Dithiolane-2-carboxylic acid, 2-(4-nitro-1H-indol-3-yl)-, ethyl ester |
| Alternate Name(s) |
ethyl 2-(4-nitro-1H-indol-3-yl)-1,3-dithiolane-2-carboxylate |
| CAS Registry Number |
115118-96-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14N2O4S2 |
| InChI |
InChI=1S/C14H14N2O4S2/c1-2-20-13(17)14(21-6-7-22-14)9-8-15-10-4-3-5-11(12(9)10)16(18)19/h3-5,8,15H,2,6-7H2,1H3 |
| InChIKey |
JOUDKVZIARGFHZ-UHFFFAOYSA-N |
| Molecular Weight |
338.396 g/mol |
| SMILES |
[nH]1c2cccc(c2c(c1)C1(C(=O)OCC)SCCS1)N(=O)=O |
| SPLASH |
splash10-014i-0090000000-c6c8a94f379223f09f15 |
| Source of Spectrum |
J-53-3854-7 |
| Wiley ID |
1333426 |
