| SpectraBase Spectrum ID |
5dIqmjjVIs0 |
| Name |
3-Methyl-2-phenylthio-4(E)-heptenenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H17NS |
| InChI |
InChI=1S/C14H17NS/c1-3-4-8-12(2)14(11-15)16-13-9-6-5-7-10-13/h4-10,12,14H,3H2,1-2H3/b8-4+ |
| InChIKey |
HDQJRXXVKCAETN-XBXARRHUSA-N |
| Molecular Weight |
231.357 g/mol |
| SMILES |
C(#N)C(Sc1ccccc1)C(\C=C\CC)C |
| SPLASH |
splash10-0002-0910000000-b2dd573cf81813e25ed2 |
| Source of Spectrum |
QA-41-809-13 |
| Synonyms |
3-Methyl-2-phenylthio-4(E)-heptenenitrile isomer
(4E)-3-methyl-2-(phenylsulfanyl)-4-heptenenitrile |
| Wiley ID |
861879 |
