| SpectraBase Spectrum ID |
1RqiBHvY3V8 |
| Name |
(E)-5-Chloro-2-nitromethyl-2-phenylthioadamantane |
| Alternate Name(s) |
(Z)-5-Chloro-2-nitromethyl-2-phenylthioadamantane
1-chloro-4-(nitromethyl)-4-(phenylsulfanyl)adamantane
5-chloro-2-(nitromethyl)-2-adamantyl phenyl sulfide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20ClNO2S |
| InChI |
InChI=1S/C17H20ClNO2S/c18-16-8-12-6-13(9-16)17(11-19(20)21,14(7-12)10-16)22-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2/t12-,13-,14+,16-,17? |
| InChIKey |
FEQSYYZJBVTVBL-WVQPCFLXSA-N |
| Molecular Weight |
337.865 g/mol |
| SMILES |
[C@@]12(C([C@@]3(C[C@](C[C@@](C2)(C3)[H])(C1)Cl)[H])(Sc1ccccc1)CN(=O)=O)[H] |
| SPLASH |
splash10-03di-0900000000-7b1602350198b3e6bf59 |
| Source of Spectrum |
J-66-1990-17 |
| Wiley ID |
1534862 |
