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Toluene-4-sulfonic acid (3S,5R)-3,6,7,7-tetramethyl-octahydro-3a,6-ethano-inden-5-yl ester
SpectraBase Compound ID 1gi65sfMarY
InChI InChI=1S/C22H32O3S/c1-15-6-9-17(10-7-15)26(23,24)25-19-14-22-13-12-21(19,5)20(3,4)18(22)11-8-16(22)2/h6-7,9-10,16,18-19H,8,11-14H2,1-5H3/t16-,18-,19+,21-,22+/m0/s1
InChIKey GEDOFFBVCIMKGY-DTTOWAHTSA-N
Mol Weight 376.6 g/mol
Molecular Formula C22H32O3S
Exact Mass 376.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1u8LUdOC8Kx
Name Toluene-4-sulfonic acid (3S,5R)-3,6,7,7-tetramethyl-octahydro-3a,6-ethano-inden-5-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O3S
InChI InChI=1S/C22H32O3S/c1-15-6-9-17(10-7-15)26(23,24)25-19-14-22-13-12-21(19,5)20(3,4)18(22)11-8-16(22)2/h6-7,9-10,16,18-19H,8,11-14H2,1-5H3/t16-,18-,19+,21-,22+/m0/s1
InChIKey GEDOFFBVCIMKGY-DTTOWAHTSA-N
Literature Reference DOI 10.1002/ajoc.201400019
Molecular Weight 376.555 g/mol
SMILES [C@@]1(OS(=O)(=O)c2ccc(cc2)C)([C@@]2(C)C(C)(C)[C@@]3(CC[C@@]([C@@]3(CC2)C1)(C)[H])[H])[H]
SPLASH splash10-0ku6-5910000000-4ef54c0aa6d287293953
Source of Spectrum AJO-3-635-6
Synonyms (3S,3aS,5R,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl 4-methylbenzenesulfonate
Wiley ID 1770002