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(S,R,R)-2-(2,6,10-Trimethyl-11-bromo-1(E),5(E),9)E)-tridecatrienyl)-3-[(phenylsulfonyl)methyl]-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydrofuran
SpectraBase Compound ID IpzgII8aTZx
InChI InChI=1S/C33H43BrO4S/c1-26(13-11-15-28(3)22-34)12-10-14-27(2)20-33-30(25-39(35,36)32-18-8-5-9-19-32)21-31(38-33)24-37-23-29-16-6-4-7-17-29/h4-9,12,15-20,30-31,33H,10-11,13-14,21-25H2,1-3H3/b26-12+,27-20+,28-15+/t30-,31-,33-/m1/s1
InChIKey ZUVZBWOVUWTJMM-LKGOKQGUSA-N
Mol Weight 615.7 g/mol
Molecular Formula C33H43BrO4S
Exact Mass 614.206544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31cZIrTfCOt
Name (S,R,R)-2-(2,6,10-Trimethyl-11-bromo-1(E),5(E),9)E)-tridecatrienyl)-3-[(phenylsulfonyl)methyl]-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydrofuran
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Formula C33H43BrO4S
InChI InChI=1S/C33H43BrO4S/c1-26(13-11-15-28(3)22-34)12-10-14-27(2)20-33-30(25-39(35,36)32-18-8-5-9-19-32)21-31(38-33)24-37-23-29-16-6-4-7-17-29/h4-9,12,15-20,30-31,33H,10-11,13-14,21-25H2,1-3H3/b26-12+,27-20+,28-15+/t30-,31-,33-/m1/s1
InChIKey ZUVZBWOVUWTJMM-LKGOKQGUSA-N
Molecular Weight 615.667 g/mol
SMILES C(S(=O)(=O)c1ccccc1)[C@@]1([C@](O[C@](C1)(COCc1ccccc1)[H])(\C=C\(CC\C=C\(CC\C=C\(CBr)C)C)C)[H])[H]
SPLASH splash10-0007-0079010000-fe430a6b406efa77c95d
Source of Spectrum J-62-6606-22
Wiley ID 1411202