For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 3'-cyano-4'-(4"-nitrophenyl)-spiro[adamantane-2,2'-thiolane]-3'-carboxylate
SpectraBase Compound ID 543SPdiUOFn
InChI InChI=1S/C22H24N2O4S/c1-28-20(25)21(12-23)19(15-2-4-18(5-3-15)24(26)27)11-29-22(21)16-7-13-6-14(9-16)10-17(22)8-13/h2-5,13-14,16-17,19H,6-11H2,1H3/t13-,14+,16-,17+,19?,21?,22?
InChIKey ZJDVXWNGQUIKHI-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H24N2O4S
Exact Mass 412.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HHN4qaF8FoF
Name Methyl 3'-cyano-4'-(4"-nitrophenyl)-spiro[adamantane-2,2'-thiolane]-3'-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24N2O4S
InChI InChI=1S/C22H24N2O4S/c1-28-20(25)21(12-23)19(15-2-4-18(5-3-15)24(26)27)11-29-22(21)16-7-13-6-14(9-16)10-17(22)8-13/h2-5,13-14,16-17,19H,6-11H2,1H3/t13-,14+,16-,17+,19?,21?,22?
InChIKey ZJDVXWNGQUIKHI-UHFFFAOYSA-N
Molecular Weight 412.504 g/mol
SMILES C1(C2(SCC1c1ccc(N(=O)=O)cc1)[C@]1(C[C@]3(C[C@@]2(C[C@@](C1)(C3)[H])[H])[H])[H])(C(=O)OC)C#N
SPLASH splash10-001i-1900100000-daa7083bccb556851e4c
Source of Spectrum Y-36-967-47
Synonyms Methyl 3'-cyano-4'-(p-nitrophenyl)-spiro[adamantane-2,2'-thiolane]-3'-carboxylate Methyl 3'-cyano-4'-(4-nitrophenyl)spiro[adamantane-2,2'-thiolane]-3'-carboxylate
Wiley ID 762581