| SpectraBase Spectrum ID |
ItLiuYi9BeX |
| Name |
4-(5-tert-butyl-1,3-dithian-2-yl)benzenecarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H19NS2 |
| InChI |
InChI=1S/C15H19NS2/c1-15(2,3)13-9-17-14(18-10-13)12-6-4-11(8-16)5-7-12/h4-7,13-14H,9-10H2,1-3H3/t13-,14- |
| InChIKey |
JBVUMTNJGGTVQA-UHFFFAOYSA-N |
| Molecular Weight |
277.444 g/mol |
| SMILES |
[C@]1(SC[C@@](CS1)(C(C)(C)C)[H])(c1ccc(C#N)cc1)[H] |
| SPLASH |
splash10-056r-7090000000-9888dc4a8ad409608fc6 |
| Source of Spectrum |
E1-38-2668-5 |
| Synonyms |
4-(5-tert-butyl-1,3-dithian-2-yl)benzonitrile |
| Wiley ID |
1598504 |
