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2,7-Diacetoxy-3,6-di-t-butyl-9-isopropyl-9H-xanthene
SpectraBase Compound ID JgbJqPuJREf
InChI InChI=1S/C28H36O5/c1-15(2)26-18-11-24(31-16(3)29)20(27(5,6)7)13-22(18)33-23-14-21(28(8,9)10)25(12-19(23)26)32-17(4)30/h11-15,26H,1-10H3
InChIKey FQRVWCHIPYLARP-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C28H36O5
Exact Mass 452.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VBBIjaPRKL
Name 2,7-Diacetoxy-3,6-di-t-butyl-9-isopropyl-9H-xanthene
Alternate Name(s) 7-(acetyloxy)-3,6-ditert-butyl-9-isopropyl-9H-xanthen-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36O5
InChI InChI=1S/C28H36O5/c1-15(2)26-18-11-24(31-16(3)29)20(27(5,6)7)13-22(18)33-23-14-21(28(8,9)10)25(12-19(23)26)32-17(4)30/h11-15,26H,1-10H3
InChIKey FQRVWCHIPYLARP-UHFFFAOYSA-N
Molecular Weight 452.591 g/mol
SMILES c12c(Oc3c(C2C(C)C)cc(c(C(C)(C)C)c3)OC(=O)C)cc(c(c1)OC(=O)C)C(C)(C)C
SPLASH splash10-0a4i-0003900000-f300a8045c9424cfaeac
Source of Spectrum SO-0-695-12
Wiley ID 873012