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5-n-Octyl-3.beta.-hydroxy-9.beta.-tosyl-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
SpectraBase Compound ID HFDG64vhocz
InChI InChI=1S/C24H34O6S/c1-3-4-5-6-7-8-13-24-20-18-14-17(19(20)23(25)29-24)22(21(18)28-24)30-31(26,27)16-11-9-15(2)10-12-16/h9-12,17-23,25H,3-8,13-14H2,1-2H3/t17-,18+,19-,20?,21-,22-,23?,24?/m1/s1
InChIKey NZSYSINZUPEMKP-IOLOFMKASA-N
Mol Weight 450.6 g/mol
Molecular Formula C24H34O6S
Exact Mass 450.20761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o8uvADa62l
Name 5-n-Octyl-3.beta.-hydroxy-9.beta.-tosyl-4,11-dioxatetracyclo[5.2.1.1(5,8).0(2,6)]undecane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O6S
InChI InChI=1S/C24H34O6S/c1-3-4-5-6-7-8-13-24-20-18-14-17(19(20)23(25)29-24)22(21(18)28-24)30-31(26,27)16-11-9-15(2)10-12-16/h9-12,17-23,25H,3-8,13-14H2,1-2H3/t17-,18+,19-,20?,21-,22-,23?,24?/m1/s1
InChIKey NZSYSINZUPEMKP-IOLOFMKASA-N
Molecular Weight 450.590 g/mol
SMILES OC1OC2(C3[C@]1([C@]1(C[C@@]3([C@]([C@@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(O2)[H])[H])[H])[H])CCCCCCCC
SPLASH splash10-004i-0900000000-b084bcef1aeda54e1ca9
Source of Spectrum F-56-347-14
Wiley ID 855581