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Dodecahydro-1,3,4,6-ethanediylidenedicyclopenta[cd,gh]pentalene-2,5-diol dibenzoate
SpectraBase Compound ID 7BFH9DWbjWp
InChI InChI=1S/C28H24O4/c29-26(12-7-3-1-4-8-12)31-25-21-16-14-11-28(32-27(30)13-9-5-2-6-10-13)23(16)22(25)20-18-17(21)15(14)19(18)24(20)28/h1-10,14-25H,11H2
InChIKey SRIISFJDKMHKSG-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C28H24O4
Exact Mass 424.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9BIQYuszb0
Name Dodecahydro-1,3,4,6-ethanediylidenedicyclopenta[cd,gh]pentalene-2,5-diol dibenzoate
Alternate Name(s) 12-(benzoyloxy)heptacyclo[6.6.0.0(2,5).0(3,14).0(4,11).0(6,10).0(9,13)]tetradec-6-yl benzoate
CAS Registry Number 89278-39-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H24O4
InChI InChI=1S/C28H24O4/c29-26(12-7-3-1-4-8-12)31-25-21-16-14-11-28(32-27(30)13-9-5-2-6-10-13)23(16)22(25)20-18-17(21)15(14)19(18)24(20)28/h1-10,14-25H,11H2
InChIKey SRIISFJDKMHKSG-UHFFFAOYSA-N
Molecular Weight 424.496 g/mol
SMILES C12(C3C4C5C(C3C3C1C1C3C5C1C4C2)OC(=O)c1ccccc1)OC(=O)c1ccccc1
SPLASH splash10-0a4i-1901300000-c91b84e0748acd9c91cf
Source of Spectrum J-49-1661-0
Wiley ID 1379440