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(E)-2-Nitromethyl-5-phenyl-2-phenylthioadamantane
SpectraBase Compound ID 7E52iiLzs0Y
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-RXDWAFCASA-N
Mol Weight 379.52 g/mol
Molecular Formula C23H25NO2S
Exact Mass 379.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWP29TZB74l
Name (E)-2-Nitromethyl-5-phenyl-2-phenylthioadamantane
Copyright Copyright © 2020-2024 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-RXDWAFCASA-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 splash10-014i-0090000000-009a8b2d8504d828f3ab
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 1534866