4'-(Nitrophenyl)-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile

SpectraBase Compound ID	9sD8oZf0Ccv
InChI	InChI=1S/C21H21N3O2S/c22-11-20(12-23)19(15-1-3-18(4-2-15)24(25)26)10-27-21(20)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17,19H,5-10H2/t13-,14+,16-,17+,19?,21?
InChIKey	QUXQZBCMXVYOQM-DTRGEYJPSA-N Google Search
Mol Weight	379.48 g/mol
Molecular Formula	C21H21N3O2S
Exact Mass	379.135448 g/mol

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SpectraBase Spectrum ID	39OxryjFBqn
Name	4'-(Nitrophenyl)-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21N3O2S
InChI	InChI=1S/C21H21N3O2S/c22-11-20(12-23)19(15-1-3-18(4-2-15)24(25)26)10-27-21(20)16-6-13-5-14(8-16)9-17(21)7-13/h1-4,13-14,16-17,19H,5-10H2/t13-,14+,16-,17+,19?,21?
InChIKey	QUXQZBCMXVYOQM-DTRGEYJPSA-N
Molecular Weight	379.478 g/mol
SMILES	[C@]12(C3([C@]4(C[C@](C[C@@](C2)(C4)[H])(C1)[H])[H])SCC(C3(C#N)C#N)c1ccc(cc1)N(=O)=O)[H]
SPLASH	splash10-003r-0907000000-d57387a64402856dba40
Source of Spectrum	Y-36-966-45
Synonyms	4'-(4-nitrophenyl)spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile 4'-(p-Nitrophenyl)-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile
Wiley ID	762583