| SpectraBase Spectrum ID |
Ah14ZPUjhh |
| Name |
rel-(1R,4R,9R)-9-(tert-butylthio)-2-formyl-1,4-dihydro-1,4-ethanonaphthalene-9-carbonitrile |
| CAS Registry Number |
118043-06-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NOS |
| InChI |
InChI=1S/C18H19NOS/c1-17(2,3)21-18(11-19)9-12-8-13(10-20)16(18)15-7-5-4-6-14(12)15/h4-8,10,12,16H,9H2,1-3H3/t12-,16-,18-/m0/s1 |
| InChIKey |
PKMXPEGUXZKMTM-IWEFOYFVSA-N |
| Molecular Weight |
297.416 g/mol |
| SMILES |
[C@]1([C@]2(C(C=O)=C[C@@](C1)(c1ccccc21)[H])[H])(SC(C)(C)C)C#N |
| SPLASH |
splash10-0a6r-0900000000-d8b91e279d1e1363f153 |
| Source of Spectrum |
K-122-588-5 |
| Synonyms |
(1R,8R,9R)-9-(tert-butylsulfanyl)-12-formyltricyclo[6.2.2.0(2,7)]dodeca-2,4,6,11-tetraene-9-carbonitrile |
| Wiley ID |
1300206 |
