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1-[4-(Benzothiazol-2-yl)-3-hydroxyphenyl]-5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptane
SpectraBase Compound ID 340ojnKUssC
InChI InChI=1S/C23H25NO4S/c1-20(2,3)23-21(4,5)13-26-22(23,27-28-23)14-10-11-15(17(25)12-14)19-24-16-8-6-7-9-18(16)29-19/h6-12,25H,13H2,1-5H3
InChIKey HILRHKTVCDUFMO-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C23H25NO4S
Exact Mass 411.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEhSJol1er6
Name 1-[4-(Benzothiazol-2-yl)-3-hydroxyphenyl]-5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]heptane
Alternate Name(s) 2-(1,3-benzothiazol-2-yl)-5-(5-tert-butyl-4,4-dimethyl-2,6,7-trioxabicyclo[3.2.0]hept-1-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO4S
InChI InChI=1S/C23H25NO4S/c1-20(2,3)23-21(4,5)13-26-22(23,27-28-23)14-10-11-15(17(25)12-14)19-24-16-8-6-7-9-18(16)29-19/h6-12,25H,13H2,1-5H3
InChIKey HILRHKTVCDUFMO-UHFFFAOYSA-N
Molecular Weight 411.516 g/mol
SMILES Oc1cc(C23OCC(C3(OO2)C(C)(C)C)(C)C)ccc1-c1sc2c(n1)cccc2
SPLASH splash10-0zfr-1191100000-019417d13620c838a3db
Source of Spectrum Y1-46-6077-3
Wiley ID 1622652