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7-Cyclohexyl-5-methyl-2,2-diphenyl-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide
SpectraBase Compound ID 6xePiZtZyWH
InChI InChI=1S/C25H31NO2S/c1-24-17-18-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)23(19-24)26(29(24,27)28)22-15-9-4-10-16-22/h2-3,5-8,11-14,22-23H,4,9-10,15-19H2,1H3/t23-,24-/m1/s1
InChIKey RVGXCXIUPDZIBU-DNQXCXABSA-N
Mol Weight 409.59 g/mol
Molecular Formula C25H31NO2S
Exact Mass 409.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LpgJ4LthnU
Name 7-Cyclohexyl-5-methyl-2,2-diphenyl-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide
Alternate Name(s) (1R*,5R*)-7-Cyclohexyl-5-methyl-2,2-diphenyl-6,7-thiazabicyclo[3.2.1]octane 6,6-dioxide 7-cyclohexyl-5-methyl-2,2-diphenyl-6-thia-7-azabicyclo[3.2.1]octane 6,6-dioxide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO2S
InChI InChI=1S/C25H31NO2S/c1-24-17-18-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)23(19-24)26(29(24,27)28)22-15-9-4-10-16-22/h2-3,5-8,11-14,22-23H,4,9-10,15-19H2,1H3/t23-,24-/m1/s1
InChIKey RVGXCXIUPDZIBU-DNQXCXABSA-N
Molecular Weight 409.588 g/mol
SMILES [C@]12(N(S([C@](CCC2(c2ccccc2)c2ccccc2)(C1)C)(=O)=O)C1CCCCC1)[H]
SPLASH splash10-004i-0900200000-9f7e6858d8a4e8ed55f4
Source of Spectrum F-54-8970-16
Wiley ID 808170