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2-(1-adamantyl)-3,3-diphenyl-5,5-bis(trifluoromethyl)-1,4,2-dithiazolidine
SpectraBase Compound ID 471LcQhohut
InChI InChI=1S/C26H25F6NS2/c27-25(28,29)24(26(30,31)32)34-23(20-7-3-1-4-8-20,21-9-5-2-6-10-21)33(35-24)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2/t17-,18+,19-,22-
InChIKey CYPUPXAZNCRUDK-UHFFFAOYSA-N
Mol Weight 529.6 g/mol
Molecular Formula C26H25F6NS2
Exact Mass 529.133261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cuNxaOQIL1
Name 2-(1-adamantyl)-3,3-diphenyl-5,5-bis(trifluoromethyl)-1,4,2-dithiazolidine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25F6NS2
InChI InChI=1S/C26H25F6NS2/c27-25(28,29)24(26(30,31)32)34-23(20-7-3-1-4-8-20,21-9-5-2-6-10-21)33(35-24)22-14-17-11-18(15-22)13-19(12-17)16-22/h1-10,17-19H,11-16H2/t17-,18+,19-,22-
InChIKey CYPUPXAZNCRUDK-UHFFFAOYSA-N
Molecular Weight 529.603 g/mol
SMILES C1(N(SC(S1)(C(F)(F)F)C(F)(F)F)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(c1ccccc1)c1ccccc1
SPLASH splash10-014r-2934000000-497f358638ec6cc363a7
Source of Spectrum U1-1998-463-5
Wiley ID 750821