| SpectraBase Spectrum ID |
78y5DeKTbX4 |
| Name |
2-Nitromethyl-2-phenylthioadamantane |
| Alternate Name(s) |
2-(nitromethyl)-2-(phenylsulfanyl)adamantane
2-(nitromethyl)-2-adamantyl phenyl sulfide
2-(nitromethyl)-2-phenylsulfanyladamantane
2-(nitromethyl)-2-phenylsulfanyl-adamantane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO2S |
| InChI |
InChI=1S/C17H21NO2S/c19-18(20)11-17(21-16-4-2-1-3-5-16)14-7-12-6-13(9-14)10-15(17)8-12/h1-5,12-15H,6-11H2/t12-,13+,14-,15+,17? |
| InChIKey |
RDUPRWLSVVZQBZ-CQQIWXSWSA-N |
| Molecular Weight |
303.420 g/mol |
| SMILES |
[C@]12(C([C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(Sc1ccccc1)CN(=O)=O)[H] |
| SPLASH |
splash10-03di-0900000000-0c5409c7a9fdb1c42bd1 |
| Source of Spectrum |
J-66-1990-17 |
| Wiley ID |
1534867 |
