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N-[2-(1-adamantyloxy)ethyl]-2-(benzylsulfanyl)benzamide

View entire compound with spectra: 2 NMR

N-[2-(1-adamantyloxy)ethyl]-2-(benzylsulfanyl)benzamide
SpectraBase Compound ID Ai8Ysw0cCTW
InChI InChI=1S/C26H31NO2S/c28-25(23-8-4-5-9-24(23)30-18-19-6-2-1-3-7-19)27-10-11-29-26-15-20-12-21(16-26)14-22(13-20)17-26/h1-9,20-22H,10-18H2,(H,27,28)/t20-,21+,22-,26-
InChIKey CANNZYAYXHADNS-CJMBIHEQSA-N
Mol Weight 421.6 g/mol
Molecular Formula C26H31NO2S
Exact Mass 421.20755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqbG7jAjt2J
Name N-[2-(1-Adamantyloxy)ethyl]-2-(benzylsulfanyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 421.207550414 u
Formula C26H31NO2S
InChI InChI=1S/C26H31NO2S/c28-25(23-8-4-5-9-24(23)30-18-19-6-2-1-3-7-19)27-10-11-29-26-15-20-12-21(16-26)14-22(13-20)17-26/h1-9,20-22H,10-18H2,(H,27,28)/t20-,21+,22-,26-
InChIKey CANNZYAYXHADNS-CJMBIHEQSA-N
Molecular Weight 421.599 g/mol
SMILES N(C(C1=C(SCC2=CC=CC=C2)C=CC=C1)=O)CCOC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]