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(Z)-5-Fluoro-3'-(4-nitrophenyl)adamantane-2-spiro-5'-(delta.(2)-1',4',2'-oxathiazoline)
SpectraBase Compound ID 7XbYaV6B1eY
InChI InChI=1S/C17H17FN2O3S/c18-16-7-10-5-12(8-16)17(13(6-10)9-16)23-19-15(24-17)11-1-3-14(4-2-11)20(21)22/h1-4,10,12-13H,5-9H2/t10-,12-,13-,16-,17-/m1/s1
InChIKey RHCIJWVECKNPCA-BOFATEMHSA-N
Mol Weight 348.39 g/mol
Molecular Formula C17H17FN2O3S
Exact Mass 348.094392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Cdl5RyOItd
Name (Z)-5-Fluoro-3'-(4-nitrophenyl)adamantane-2-spiro-5'-(delta.(2)-1',4',2'-oxathiazoline)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17FN2O3S
InChI InChI=1S/C17H17FN2O3S/c18-16-7-10-5-12(8-16)17(13(6-10)9-16)23-19-15(24-17)11-1-3-14(4-2-11)20(21)22/h1-4,10,12-13H,5-9H2/t10-,12-,13-,16-,17-/m1/s1
InChIKey RHCIJWVECKNPCA-BOFATEMHSA-N
Molecular Weight 348.392 g/mol
SMILES [C@]12(SC(c3ccc(N(=O)=O)cc3)=NO1)[C@]1(C[C@@]3(C[C@]2(C[C@@](C3)(C1)[H])[H])F)[H]
SPLASH splash10-000t-4904000000-5dda5d37f737ab98a0a0
Source of Spectrum J-64-1105-7
Synonyms (E)-5-Fluoro-3'-(4-nitrophenyl)adamantane-2-spiro-5'-(delta.(2)-1',4',2'-oxathiazoline)
Wiley ID 1529376