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bis-nor-dihydro-S-145-PFB

View entire compound with spectra: 1 MS (GC)

bis-nor-dihydro-S-145-PFB
SpectraBase Compound ID AWW8IoSsJMy
InChI InChI=1S/C25H26F5NO4S/c26-20-13-12-19(22(27)23(20)28)25(29,30)35-21(32)9-5-4-8-18-15-10-11-16(14-15)24(18)31-36(33,34)17-6-2-1-3-7-17/h1-3,6-7,12-13,15-16,18,24,31H,4-5,8-11,14H2/t15-,16-,18?,24?/m0/s1
InChIKey UJHJDPRPBONUBR-CEWCGBLVSA-N
Mol Weight 531.54 g/mol
Molecular Formula C25H26F5NO4S
Exact Mass 531.15027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qIw3jeKrqq
Name bis-nor-dihydro-S-145-PFB
Alternate Name(s) difluoro(2,3,4-trifluorophenyl)methyl 5-{3-[(phenylsulfonyl)amino]bicyclo[2.2.1]hept-2-yl}pentanoate Pentafluorobenzyl (+-)-5-(3-endo-phenylsulphonylaminobicyclo[2.2.1]hept-2-exo-yl)pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26F5NO4S
InChI InChI=1S/C25H26F5NO4S/c26-20-13-12-19(22(27)23(20)28)25(29,30)35-21(32)9-5-4-8-18-15-10-11-16(14-15)24(18)31-36(33,34)17-6-2-1-3-7-17/h1-3,6-7,12-13,15-16,18,24,31H,4-5,8-11,14H2/t15-,16-,18?,24?/m0/s1
InChIKey UJHJDPRPBONUBR-CEWCGBLVSA-N
Molecular Weight 531.538 g/mol
SMILES N(S(=O)(=O)c1ccccc1)C1[C@@]2(C[C@@](C1CCCCC(OC(c1c(c(F)c(cc1)F)F)(F)F)=O)(CC2)[H])[H]
SPLASH splash10-001l-0901000000-4fd289316703d519a4a0
Source of Spectrum KO-18-1061-6
Wiley ID 1403458