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N-(1-Adamantyl)-5-(4-nitrophenoxy)methyl-1,3-oxathiolane-2-imine
SpectraBase Compound ID ElFkGqqlmmK
InChI InChI=1S/C20H24N2O4S/c23-22(24)16-1-3-17(4-2-16)25-11-18-12-27-19(26-18)21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,18H,5-12H2/t13-,14+,15-,18?,20-
InChIKey WOONHXLKIDNDOQ-RYPPKCAISA-N
Mol Weight 388.48 g/mol
Molecular Formula C20H24N2O4S
Exact Mass 388.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQN5IakACmJ
Name N-(1-Adamantyl)-5-(4-nitrophenoxy)methyl-1,3-oxathiolane-2-imine
Appearance White microcrystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O4S
InChI InChI=1S/C20H24N2O4S/c23-22(24)16-1-3-17(4-2-16)25-11-18-12-27-19(26-18)21-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15,18H,5-12H2/t13-,14+,15-,18?,20-
InChIKey WOONHXLKIDNDOQ-RYPPKCAISA-N
Instrument Name Finnigan DSQ GC-MS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.416
Molecular Weight 388.482 g/mol
SMILES C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])N=C1OC(CS1)COc1ccc(cc1)[N+]([O-])=O)[H])[H]
SPLASH splash10-00di-9311000000-6cedf5b25db90e72eb14
Source of Spectrum ARK-2005-205-6d
Wiley ID 1873065