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4'-Phenyl-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile

View entire compound with spectra: 1 MS (GC)

4'-Phenyl-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile
SpectraBase Compound ID 2RnhLATkSZy
InChI InChI=1S/C21H22N2S/c22-12-20(13-23)19(16-4-2-1-3-5-16)11-24-21(20)17-7-14-6-15(9-17)10-18(21)8-14/h1-5,14-15,17-19H,6-11H2/t14-,15+,17-,18+,19-,21?/m1/s1
InChIKey RDYRFYFHVJZXFC-LQOSBZKISA-N
Mol Weight 334.48 g/mol
Molecular Formula C21H22N2S
Exact Mass 334.15037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HC7V8WGakOJ
Name 4'-Phenyl-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile
Alternate Name(s) 4'(R)-Phenyl-spiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile (4'R)-4'-phenylspiro[adamantane-2,2'-thiolane]-3',3'-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2S
InChI InChI=1S/C21H22N2S/c22-12-20(13-23)19(16-4-2-1-3-5-16)11-24-21(20)17-7-14-6-15(9-17)10-18(21)8-14/h1-5,14-15,17-19H,6-11H2/t14-,15+,17-,18+,19-,21?/m1/s1
InChIKey RDYRFYFHVJZXFC-LQOSBZKISA-N
Molecular Weight 334.481 g/mol
SMILES C1(C2(SC[C@@]1(c1ccccc1)[H])[C@]1(C[C@]3(C[C@@]2(C[C@@](C1)(C3)[H])[H])[H])[H])(C#N)C#N
SPLASH splash10-001r-0903000000-649200961330106e1ae8
Source of Spectrum Y-36-966-44
Wiley ID 762476