| SpectraBase Spectrum ID |
BsDBP2o53U2 |
| Name |
Benzonitrile, 4-[hydroxy(4,5,6,7-tetrahydro-2-thiepinyl)methyl]-, S-oxide, (R*,R*)- |
| CAS Registry Number |
79575-18-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15NO2S |
| InChI |
InChI=1S/C14H15NO2S/c15-10-11-5-7-12(8-6-11)14(16)13-4-2-1-3-9-18(13)17/h4-8,14,16H,1-3,9H2 |
| InChIKey |
JZAJWLPAYTYIQQ-UHFFFAOYSA-N |
| Molecular Weight |
261.339 g/mol |
| SMILES |
OC(C=1S(=O)CCCCC1)c1ccc(C#N)cc1 |
| SPLASH |
splash10-000x-0790000000-371ab63081b4d135c65d |
| Source of Spectrum |
B-34-1034-0 |
| Synonyms |
2-(1-p-cyanophenyl-1-hydroxymethyl)-1-thiacyclohept-2-ene 1-oxide
4-[hydroxy(1-oxido-4,5,6,7-tetrahydro-2-thiepinyl)methyl]benzonitrile
Thiepin, benzonitrile deriv. |
| Wiley ID |
1264682 |
![Benzonitrile, 4-[hydroxy(4,5,6,7-tetrahydro-2-thiepinyl)methyl]-, S-oxide, (R*,R*)-](/api/spectrum/BsDBP2o53U2/structure.png?h=300&w=458 "Benzonitrile, 4-[hydroxy(4,5,6,7-tetrahydro-2-thiepinyl)methyl]-, S-oxide, (R*,R*)-")
