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N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
SpectraBase Compound ID GIHj9pjfXtJ
InChI InChI=1S/C21H25N3O2S2/c1-13-3-2-4-17(5-13)26-12-18(25)22-19-23-20(24-28-19)27-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,23,24,25)/t14-,15+,16-,21-
InChIKey ITSXROZJHWCYDO-OFIQSVQDSA-N
Mol Weight 415.57 g/mol
Molecular Formula C21H25N3O2S2
Exact Mass 415.138819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SNzFRhfKi3
Name N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25N3O2S2
InChI InChI=1S/C21H25N3O2S2/c1-13-3-2-4-17(5-13)26-12-18(25)22-19-23-20(24-28-19)27-21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3,(H,22,23,24,25)/t14-,15+,16-,21-
InChIKey ITSXROZJHWCYDO-OFIQSVQDSA-N
Molecular Weight 415.570 g/mol
SMILES N(c1snc(SC23C[C@]4(C[C@](C[C@](C4)(C3)[H])(C2)[H])[H])n1)C(COc1cccc(c1)C)=O
SPLASH splash10-000i-4900100000-9eeb72eb6a8787ae0bc8
Synonyms N-[3-(1-adamantylsulfanyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)ethanamide N-[3-(1-adamantylthio)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
Wiley ID 1512621