1-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one

SpectraBase Compound ID	Az8LFpD2Ltx
InChI	InChI=1S/C20H23NO2S/c1-12(22)11-24-19-21-17-7-16(2-3-18(17)23-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3/t13-,14+,15-,20-
InChIKey	PDJKIFKVDZAVRC-PVGDPBLGSA-N Google Search
Mol Weight	341.47 g/mol
Molecular Formula	C20H23NO2S
Exact Mass	341.14495 g/mol

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SpectraBase Spectrum ID	HYJkEc7cSwl
Name	1-{[5-(adamantan-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}propan-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H23NO2S
InChI	InChI=1S/C20H23NO2S/c1-12(22)11-24-19-21-17-7-16(2-3-18(17)23-19)20-8-13-4-14(9-20)6-15(5-13)10-20/h2-3,7,13-15H,4-6,8-11H2,1H3/t13-,14+,15-,20-
InChIKey	PDJKIFKVDZAVRC-PVGDPBLGSA-N
Molecular Weight	341.469 g/mol
SMILES	c12ccc(cc2nc(o1)SCC(C)=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
SPLASH	splash10-0006-9852000000-056478072b25a1949cf8
Source of Spectrum	IY-2-5205-8
Synonyms	2-Propanone, 1-[(5-tricyclo[3.3.1.1(3,7)]dec-1-yl-1,3-benzoxazol-2-yl)thio]- 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]thio]-2-propanone 1-[[5-(1-adamantyl)-1,3-benzoxazol-2-yl]sulfanyl]propan-2-one
Wiley ID	1660041