| SpectraBase Spectrum ID |
IYCBB6O2RjQ |
| Name |
1-Heptanone, 1-[1-(phenylthio)cyclohexyl]- |
| CAS Registry Number |
95110-56-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28OS |
| InChI |
InChI=1S/C19H28OS/c1-2-3-4-9-14-18(20)19(15-10-6-11-16-19)21-17-12-7-5-8-13-17/h5,7-8,12-13H,2-4,6,9-11,14-16H2,1H3 |
| InChIKey |
VLJLLVYIHVGBOX-UHFFFAOYSA-N |
| Molecular Weight |
304.492 g/mol |
| SMILES |
C1(Sc2ccccc2)(C(=O)CCCCCC)CCCCC1 |
| SPLASH |
splash10-0006-0900000000-bfabdcd8ee4d16058b0b |
| Source of Spectrum |
AJ-58-2853-5 |
| Synonyms |
1-(1-Phenylthiocyclohexyl)-1-heptanone
1-[1-(phenylsulfanyl)cyclohexyl]-1-heptanone |
| Wiley ID |
1306674 |
![1-Heptanone, 1-[1-(phenylthio)cyclohexyl]-](/api/spectrum/IYCBB6O2RjQ/structure.png?h=300&w=458 "1-Heptanone, 1-[1-(phenylthio)cyclohexyl]-")
