| SpectraBase Spectrum ID |
FOp2WXminrU |
| Name |
(E)-2-Nitromethyl-5-phenyl-2-phenylthioadamantane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H25NO2S |
| InChI |
InChI=1S/C23H25NO2S/c25-24(26)16-23(27-21-9-5-2-6-10-21)19-11-17-12-20(23)15-22(13-17,14-19)18-7-3-1-4-8-18/h1-10,17,19-20H,11-16H2/t17-,19-,20+,22-,23? |
| InChIKey |
HLVYZJRFIXMYMY-UHFFFAOYSA-N |
| Molecular Weight |
379.518 g/mol |
| SMILES |
[C@@]12(C([C@@]3(C[C@](C[C@@](C2)(C3)[H])(C1)c1ccccc1)[H])(Sc1ccccc1)CN(=O)=O)[H] |
| SPLASH |
splash10-0006-9000000000-7ae2a6953ef4f3418e06 |
| Source of Spectrum |
J-66-1990-17 |
| Synonyms |
(Z)-2-Nitromethyl-5-phenyl-2-phenylthioadamantane
2-(nitromethyl)-5-phenyl-2-adamantyl phenyl sulfide
4-(nitromethyl)-1-phenyl-4-(phenylsulfanyl)adamantane |
| Wiley ID |
1534865 |
