| SpectraBase Spectrum ID |
46thMy3lg6f |
| Name |
(Z)-5-Iodo-2-nitromethyl-2-phenylthioadamantane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20INO2S |
| InChI |
InChI=1S/C17H20INO2S/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 |
UIPZNHSFUODAFS-WVQPCFLXSA-N |
| Molecular Weight |
429.316 g/mol |
| SMILES |
[C@@]12(C([C@@]3(C[C@](C[C@@](C2)(C3)[H])(C1)I)[H])(Sc1ccccc1)CN(=O)=O)[H] |
| SPLASH |
splash10-03di-0900000000-7e5da5ea4b8ca3fd78bf |
| Source of Spectrum |
J-66-1991-17 |
| Synonyms |
(E)-5-Iodo-2-nitromethyl-2-phenylthioadamantane
1-iodo-4-(nitromethyl)-4-(phenylsulfanyl)adamantane
5-iodo-2-(nitromethyl)-2-adamantyl phenyl sulfide |
| Wiley ID |
1534858 |
