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(3R,3aR,5R,7aR)-5-[(4-Methylbenzene)-1-sulfonyloxy]-3,7a-dimethyl-3a,4,5,6,7,7a-hexahydro-2(3H)-benzofuranone

View entire compound with spectra: 1 MS (GC)

(3R,3aR,5R,7aR)-5-[(4-Methylbenzene)-1-sulfonyloxy]-3,7a-dimethyl-3a,4,5,6,7,7a-hexahydro-2(3H)-benzofuranone
SpectraBase Compound ID 7EXysNQAgnQ
InChI InChI=1S/C17H22O5S/c1-11-4-6-14(7-5-11)23(19,20)22-13-8-9-17(3)15(10-13)12(2)16(18)21-17/h4-7,12-13,15H,8-10H2,1-3H3/t12-,13-,15-,17-/m1/s1
InChIKey RKWNZFROOAVUCH-GKLJAUDBSA-N
Mol Weight 338.42 g/mol
Molecular Formula C17H22O5S
Exact Mass 338.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhXUldrpkbc
Name (3R,3aR,5R,7aR)-5-[(4-Methylbenzene)-1-sulfonyloxy]-3,7a-dimethyl-3a,4,5,6,7,7a-hexahydro-2(3H)-benzofuranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5S
InChI InChI=1S/C17H22O5S/c1-11-4-6-14(7-5-11)23(19,20)22-13-8-9-17(3)15(10-13)12(2)16(18)21-17/h4-7,12-13,15H,8-10H2,1-3H3/t12-,13-,15-,17-/m1/s1
InChIKey RKWNZFROOAVUCH-GKLJAUDBSA-N
Molecular Weight 338.418 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C[C@@]2([C@](C(=O)O[C@@]2(CC1)C)(C)[H])[H])[H]
SPLASH splash10-01bc-4900000000-afbe8da8dbb5025d40b3
Source of Spectrum QC-9-301-7
Synonyms (3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxooctahydro-1-benzofuran-5-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[(3R,3aR,5R,7aR)-2-keto-3,7a-dimethyl-3,3a,4,5,6,7-hexahydrobenzofuran-5-yl]ester 4-Methylbenzenesulfonic acid[(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydrobenzofuran-5-yl]ester [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxidanylidene-3,3a,4,5,6,7-hexahydro-1-benzofuran-5-yl]4-methylbenzenesulfonate [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydro-1-benzofuran-5-yl]4-methylbenzenesulfonate [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydrobenzofuran-5-yl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydrobenzofuran-5-yl] ester [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydro-1-benzofuran-5-yl] 4-methylbenzenesulfonate [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxo-3,3a,4,5,6,7-hexahydrobenzofuran-5-yl] 4-methylbenzenesulfonate [(3R,3aR,5R,7aR)-3,7a-dimethyl-2-oxidanylidene-3,3a,4,5,6,7-hexahydro-1-benzofuran-5-yl] 4-methylbenzenesulfonate
Wiley ID 870369