| SpectraBase Spectrum ID |
KnrGT5OHZE0 |
| Name |
(E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)acrylonitrile |
| Alternate Name(s) |
(E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)-2-propenenitrile
(E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H9N3O2S |
| InChI |
InChI=1S/C16H9N3O2S/c17-10-12(9-11-5-7-13(8-6-11)19(20)21)16-18-14-3-1-2-4-15(14)22-16/h1-9H/b12-9+ |
| InChIKey |
BZRGZMKGMOAWJD-FMIVXFBMSA-N |
| Molecular Weight |
307.327 g/mol |
| SMILES |
c1(nc2ccccc2s1)\C(=C\c1ccc([N+]([O-])=O)cc1)C#N |
| SPLASH |
splash10-0a4i-0029000000-0c6752bfb6b244e7d038 |
| Source of Spectrum |
KC-0-1764-2e |
| Wiley ID |
784044 |
