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2-Oxabicyclo[3.2.1]octan-3-one, 8-(2-butenyl)-6-[[(4-methylphenyl)sulfonyl]oxy]-, [1.alpha.,5.alpha.,6.alpha.,8R*(E)]-
SpectraBase Compound ID 6lRiziO1B6R
InChI InChI=1S/C18H22O5S/c1-3-4-5-14-15-10-18(19)22-16(14)11-17(15)23-24(20,21)13-8-6-12(2)7-9-13/h3-4,6-9,14-17H,5,10-11H2,1-2H3/b4-3+/t14-,15-,16-,17-/m1/s1
InChIKey KJSRJDAUTORBHW-ONAXABPCSA-N
Mol Weight 350.43 g/mol
Molecular Formula C18H22O5S
Exact Mass 350.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZihJc1qA2O
Name 2-Oxabicyclo[3.2.1]octan-3-one, 8-(2-butenyl)-6-[[(4-methylphenyl)sulfonyl]oxy]-, [1.alpha.,5.alpha.,6.alpha.,8R*(E)]-
CAS Registry Number 55834-02-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5S
InChI InChI=1S/C18H22O5S/c1-3-4-5-14-15-10-18(19)22-16(14)11-17(15)23-24(20,21)13-8-6-12(2)7-9-13/h3-4,6-9,14-17H,5,10-11H2,1-2H3/b4-3+/t14-,15-,16-,17-/m1/s1
InChIKey KJSRJDAUTORBHW-ONAXABPCSA-N
Molecular Weight 350.429 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)([C@]2([C@@](C\C=C\C)([C@@](C1)(OC(C2)=O)[H])[H])[H])[H]
SPLASH splash10-004l-8900000000-d8a415b2ec6ec294fc68
Source of Spectrum AN-84-826-0
Synonyms (1R,5R,6R,8R)-8-[(2E)-2-butenyl]-3-oxo-2-oxabicyclo[3.2.1]oct-6-yl 4-methylbenzenesulfonate 6-r-exo-p-toluenesulfanyloxy-8-syn-(2'-butenyl)-2-oxa-bicyclo(3,2,1)octane-3-one
Wiley ID 1341856