Methyl 3'-cyano-4'-phenyl-spiro[adamantane-2,2'-thiolane]-3'-carboxylate

SpectraBase Compound ID	BnoH7vhJAXK
InChI	InChI=1S/C22H25NO2S/c1-25-20(24)21(13-23)19(16-5-3-2-4-6-16)12-26-22(21)17-8-14-7-15(10-17)11-18(22)9-14/h2-6,14-15,17-19H,7-12H2,1H3/t14-,15+,17-,18+,19?,21?,22?
InChIKey	SXQDWQQSEWHIAQ-UHFFFAOYSA-N Google Search
Mol Weight	367.51 g/mol
Molecular Formula	C22H25NO2S
Exact Mass	367.1606 g/mol

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SpectraBase Spectrum ID	KoWXKOnVxWh
Name	Methyl 3'-cyano-4'-phenyl-spiro[adamantane-2,2'-thiolane]-3'-carboxylate
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25NO2S
InChI	InChI=1S/C22H25NO2S/c1-25-20(24)21(13-23)19(16-5-3-2-4-6-16)12-26-22(21)17-8-14-7-15(10-17)11-18(22)9-14/h2-6,14-15,17-19H,7-12H2,1H3/t14-,15+,17-,18+,19?,21?,22?
InChIKey	SXQDWQQSEWHIAQ-UHFFFAOYSA-N
Molecular Weight	367.507 g/mol
SMILES	[C@]12(C3([C@]4(C[C@](C[C@@](C2)(C4)[H])(C1)[H])[H])SCC(C3(C(=O)OC)C#N)c1ccccc1)[H]
SPLASH	splash10-00lr-0905000000-9c65d4b13030d52428d0
Source of Spectrum	Y-36-967-46
Wiley ID	762474