| SpectraBase Spectrum ID |
Ah8lNiHu08T |
| Name |
Dimethyl 5-isothiocyanatoisophthalate |
| CAS Registry Number |
72076-50-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H9NO4S |
| InChI |
InChI=1S/C11H9NO4S/c1-15-10(13)7-3-8(11(14)16-2)5-9(4-7)12-6-17/h3-5H,1-2H3 |
| InChIKey |
SEFVBTNZOHDLLS-UHFFFAOYSA-N |
| Molecular Weight |
251.256 g/mol |
| SMILES |
COC(=O)c1cc(N=C=S)cc(c1)C(=O)OC |
| SPLASH |
splash10-0fmi-4590000000-ab91ec98be4290eee857 |
| Source of Spectrum |
JX-2015-1-693 |
| Synonyms |
1,3-Benzenedicarboxylic acid, 5-isothiocyanato-, dimethyl ester
5-Isothiocyanato-isophthalic acid dimethyl ester
5-Isothiocyanatobenzene-1,3-dicarboxylic acid dimethyl ester
Dimethyl 5-isothiocyanatobenzene-1,3-dicarboxylate |
| Wiley ID |
1721485 |
