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Ethyl 3-(4-biphenylyl)-4-fluoro-2-isocyano-4-phenylsulfonylbutanoate
SpectraBase Compound ID 5S1W6YQnSgC
InChI InChI=1S/C25H22FNO4S/c1-3-31-25(28)23(27-2)22(24(26)32(29,30)21-12-8-5-9-13-21)20-16-14-19(15-17-20)18-10-6-4-7-11-18/h4-17,22-24H,3H2,1H3
InChIKey RVKWZTSTKYIGJY-UHFFFAOYSA-N
Mol Weight 451.51 g/mol
Molecular Formula C25H22FNO4S
Exact Mass 451.125358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jk0E8YZoH6M
Name Ethyl 3-(4-biphenylyl)-4-fluoro-2-isocyano-4-phenylsulfonylbutanoate
Alternate Name(s) Ethyl 4-(benzenesulfonyl)-4-fluoro-2-isocyano-3-(4-phenylphenyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22FNO4S
InChI InChI=1S/C25H22FNO4S/c1-3-31-25(28)23(27-2)22(24(26)32(29,30)21-12-8-5-9-13-21)20-16-14-19(15-17-20)18-10-6-4-7-11-18/h4-17,22-24H,3H2,1H3
InChIKey RVKWZTSTKYIGJY-UHFFFAOYSA-N
Molecular Weight 451.512 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(C([N+]#[C-])C(=O)OCC)c1ccc(cc1)-c1ccccc1)F
SPLASH splash10-000t-3903200000-351ef61de7513c11c987
Source of Spectrum AJ-67-1446-6
Wiley ID 772618