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1,6,7,12-Perylenetetrol, tetraacetate
SpectraBase Compound ID 4NvZ5nrRoOF
InChI InChI=1S/C28H20O8/c1-13(29)33-19-9-5-17-6-11-21(35-15(3)31)27-23(17)25(19)26-20(34-14(2)30)10-7-18-8-12-22(36-16(4)32)28(27)24(18)26/h5-12H,1-4H3
InChIKey LOHSUKJHTUKQNA-UHFFFAOYSA-N
Mol Weight 484.46 g/mol
Molecular Formula C28H20O8
Exact Mass 484.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMLl3PdaFRB
Name 1,6,7,12-Perylenetetrol, tetraacetate
Alternate Name(s) 6,7,12-tris(acetyloxy)-1-perylenyl acetate Leutacotetra-acetate
CAS Registry Number 117170-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20O8
InChI InChI=1S/C28H20O8/c1-13(29)33-19-9-5-17-6-11-21(35-15(3)31)27-23(17)25(19)26-20(34-14(2)30)10-7-18-8-12-22(36-16(4)32)28(27)24(18)26/h5-12H,1-4H3
InChIKey LOHSUKJHTUKQNA-UHFFFAOYSA-N
Molecular Weight 484.460 g/mol
SMILES c12c3c4c(ccc(c4c4c2c(ccc4OC(=O)C)ccc1OC(=O)C)OC(=O)C)ccc3OC(=O)C
SPLASH splash10-0002-0092000000-30925cfa6efe545f38f5
Source of Spectrum KC-1988-585-0
Wiley ID 1396037