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(E)-5-Fluoro-3'-(4-methylphenyl)adamantane-2-spiro-5'-(delta.(2)-1',4',2'-oxathiazoline)
SpectraBase Compound ID 9JINtiiFJIA
InChI InChI=1S/C18H20FNOS/c1-11-2-4-13(5-3-11)16-20-21-18(22-16)14-6-12-7-15(18)10-17(19,8-12)9-14/h2-5,12,14-15H,6-10H2,1H3/t12-,14-,15-,17-,18+/m1/s1
InChIKey BDKBWXKVVPBCNZ-NHQZAOEJSA-N
Mol Weight 317.42 g/mol
Molecular Formula C18H20FNOS
Exact Mass 317.124964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HdJY0vLUVU
Name (E)-5-Fluoro-3'-(4-methylphenyl)adamantane-2-spiro-5'-(delta.(2)-1',4',2'-oxathiazoline)
Alternate Name(s) (Z)-5-Fluoro-3'-(4-methylphenyl)adamantane-2-spiro-5'-(delta.(2)-1',4',2'-oxathiazoline)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20FNOS
InChI InChI=1S/C18H20FNOS/c1-11-2-4-13(5-3-11)16-20-21-18(22-16)14-6-12-7-15(18)10-17(19,8-12)9-14/h2-5,12,14-15H,6-10H2,1H3/t12-,14-,15-,17-,18+/m1/s1
InChIKey BDKBWXKVVPBCNZ-NHQZAOEJSA-N
Molecular Weight 317.422 g/mol
SMILES [C@]12(SC(c3ccc(cc3)C)=NO1)[C@]1(C[C@]3(C[C@]2(C[C@](C3)(C1)[H])[H])F)[H]
SPLASH splash10-0a4j-2593000000-2564cf5120d11a19133d
Source of Spectrum J-64-1105-7
Wiley ID 1529371