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3-[3,5-Dimethyl(phenylsulfonyl)anilino]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate
SpectraBase Compound ID B1djVVs1E8X
InChI InChI=1S/C27H35NO4S/c1-7-23(29)32-25-24(22-13-14-27(25,6)26(22,4)5)28(20-16-18(2)15-19(3)17-20)33(30,31)21-11-9-8-10-12-21/h8-12,15-17,22,24-25H,7,13-14H2,1-6H3/t22-,24?,25?,27+/m1/s1
InChIKey FXDBHLGUCVHZKW-PPVJXNGASA-N
Mol Weight 469.6 g/mol
Molecular Formula C27H35NO4S
Exact Mass 469.22868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kUAbazePUh
Name 3-[3,5-Dimethyl(phenylsulfonyl)anilino]-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate
CAS Registry Number 76529-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO4S
InChI InChI=1S/C27H35NO4S/c1-7-23(29)32-25-24(22-13-14-27(25,6)26(22,4)5)28(20-16-18(2)15-19(3)17-20)33(30,31)21-11-9-8-10-12-21/h8-12,15-17,22,24-25H,7,13-14H2,1-6H3/t22-,24?,25?,27+/m1/s1
InChIKey FXDBHLGUCVHZKW-PPVJXNGASA-N
Molecular Weight 469.640 g/mol
SMILES C(=O)(OC1C([C@]2(CC[C@@]1(C2(C)C)C)[H])N(S(c1ccccc1)(=O)=O)c1cc(cc(c1)C)C)CC
SPLASH splash10-0zir-5961000000-6f205173c28bc324f4c0
Synonyms Benzenesulfonamide, N-(3,5-dimethylphenyl)-N-[4,7,7-trimethyl-3-(1-oxopropoxy)bicyclo[2.2.1]hept-2-yl]-, [1S-(exo,exo)]- Propanoic acid [2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester [2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] propanoate [3-[N-(benzenesulfonyl)-3,5-dimethyl-anilino]-1,7,7-trimethyl-norbornan-2-yl] propanoate [2-[(3,5-dimethylphenyl)-(phenylsulfonyl)amino]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] propanoate
Wiley ID 1486705