SpectraBase Spectrum ID |
KnrGT5OHZE0 |
Name |
(E)-2-(1,3-Benzothiazol-2-yl)-3-(4-nitrophenyl)acrylonitrile |
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 |
Synonyms |
(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 |
Wiley ID |
784044 |