| SpectraBase Spectrum ID |
KdeKDO26nfY |
| Name |
5-[4'-Phenylbuta-1',3'-dienyl]-3-methyl-4-isothiazole-1-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H12N2S |
| InChI |
InChI=1S/C15H12N2S/c1-12-14(11-16)15(17-18-12)10-6-5-9-13-7-3-2-4-8-13/h2-10H,1H3/b9-5+,10-6+ |
| InChIKey |
AASRHTKKULZBNL-NXZHAISVSA-N |
| Molecular Weight |
252.335 g/mol |
| SMILES |
c1(c(nsc1C)\C=C\C=C\c1ccccc1)C#N |
| SPLASH |
splash10-0udi-0090000000-82d37984eadf3e8ebb60 |
| Source of Spectrum |
MZ-34-2687-3 |
| Synonyms |
5-methyl-3-[(1E,3E)-4-phenyl-1,3-butadienyl]-4-isothiazolecarbonitrile |
| Wiley ID |
1582487 |
![5-[4'-Phenylbuta-1',3'-dienyl]-3-methyl-4-isothiazole-1-carbonitrile](/api/spectrum/KdeKDO26nfY/structure.png?h=300&w=458 "5-[4'-Phenylbuta-1',3'-dienyl]-3-methyl-4-isothiazole-1-carbonitrile")
