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Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-, 1,7,7-bicyclo[2.2.1]hept-2-yl ester, [1.alpha.,2.alpha.(R*),4.alpha.]-
SpectraBase Compound ID 7m9qCt1Luf0
InChI InChI=1S/C26H33NO6S2/c1-17-7-9-19(10-8-17)35(30,31)27-34(6,29)20-11-12-21(22(16-20)32-5)24(28)33-23-15-18-13-14-26(23,4)25(18,2)3/h7-12,16,18,23H,13-15H2,1-6H3/t18-,23-,26+,34?/m1/s1
InChIKey VPIXGZXPFFPRIF-FVHHICFMSA-N
Mol Weight 519.7 g/mol
Molecular Formula C26H33NO6S2
Exact Mass 519.17493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bQOB7L3RXT
Name Benzoic acid, 2-methoxy-4-[S-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl]-, 1,7,7-bicyclo[2.2.1]hept-2-yl ester, [1.alpha.,2.alpha.(R*),4.alpha.]-
CAS Registry Number 114916-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33NO6S2
InChI InChI=1S/C26H33NO6S2/c1-17-7-9-19(10-8-17)35(30,31)27-34(6,29)20-11-12-21(22(16-20)32-5)24(28)33-23-15-18-13-14-26(23,4)25(18,2)3/h7-12,16,18,23H,13-15H2,1-6H3/t18-,23-,26+,34?/m1/s1
InChIKey VPIXGZXPFFPRIF-FVHHICFMSA-N
Molecular Weight 519.671 g/mol
SMILES c1(S(N=S(c2cc(OC)c(cc2)C(O[C@]2([C@]3(C(C)(C)[C@@](C2)(CC3)[H])C)[H])=O)(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0fyo-5709040000-2a1cc71a1889a7076f9c
Source of Spectrum F-43-4545-4
Synonyms 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methoxy-4-{methyl[(4-methylphenyl)sulfonyl]sulfonimidoyl}benzoate 2-Methoxy-4-(s-methyl-N-[(4-methylphenyl)sulfonyl]sulfonimidoyl)-benzoic acid bornyl ester
Wiley ID 1401823