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trans-1,2,3,4,4a,5,6,8a-Octahydro-1,1-dimethyl-6,6-ethylenedioxy-4a-(tosyloxymethyl)naphthalene
SpectraBase Compound ID Q3UgY7wvHY
InChI InChI=1S/C22H30O5S/c1-17-5-7-18(8-6-17)28(23,24)27-16-21-11-4-10-20(2,3)19(21)9-12-22(15-21)25-13-14-26-22/h5-9,12,19H,4,10-11,13-16H2,1-3H3/t19-,21+/m1/s1
InChIKey ORBDJHLNOINOHU-CTNGQTDRSA-N
Mol Weight 406.54 g/mol
Molecular Formula C22H30O5S
Exact Mass 406.181395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zimItiJ0V8
Name trans-1,2,3,4,4a,5,6,8a-Octahydro-1,1-dimethyl-6,6-ethylenedioxy-4a-(tosyloxymethyl)naphthalene
CAS Registry Number 71886-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5S
InChI InChI=1S/C22H30O5S/c1-17-5-7-18(8-6-17)28(23,24)27-16-21-11-4-10-20(2,3)19(21)9-12-22(15-21)25-13-14-26-22/h5-9,12,19H,4,10-11,13-16H2,1-3H3/t19-,21+/m1/s1
InChIKey ORBDJHLNOINOHU-CTNGQTDRSA-N
Molecular Weight 406.537 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]12[C@](C=CC3(C2)OCCO3)(C(C)(C)CCC1)[H]
SPLASH splash10-0aor-7900100000-1fb7aef11250887b129d
Source of Spectrum J-45-230-0
Synonyms (4'aR,8'aR)-5',5'-dimethyl-4'a,5',6',7',8',8'a-hexahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-8'a-ylmethyl 4-methylbenzene-1-sulfonate 4-Methylbenzenesulfonic acid [(4'aR,8'aR)-1',1'-dimethyl-4'a-spiro[1,3-dioxolane-2,6'-3,4,5,8a-tetrahydro-2H-naphthalene]yl]methyl ester [(4'aR,8'aR)-1',1'-dimethylspiro[1,3-dioxolane-2,6'-3,4,5,8a-tetrahydro-2H-naphthalene]-4'a-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1372131