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Heptacyclo[29.4.0.0(2,16),0(3,8).0(10,15).0(17,22).0(24,29)]pentatriaconta-1(31),2(16),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,32,34-hexadecaen-9-one

View entire compound with spectra: 1 MS (GC)

Heptacyclo[29.4.0.0(2,16),0(3,8).0(10,15).0(17,22).0(24,29)]pentatriaconta-1(31),2(16),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,32,34-hexadecaen-9-one
SpectraBase Compound ID 2ZN315bU105
InChI InChI=1S/C35H24O/c36-35-31-19-9-7-17-29(31)33-27-15-5-3-13-25(27)21-23-11-1-2-12-24(23)22-26-14-4-6-16-28(26)34(33)30-18-8-10-20-32(30)35/h1-20H,21-22H2
InChIKey ZALUUKPJEZPRFB-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C35H24O
Exact Mass 460.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFZW7sAANdi
Name Heptacyclo[29.4.0.0(2,16),0(3,8).0(10,15).0(17,22).0(24,29)]pentatriaconta-1(31),2(16),3(8),4,6,10(15),11,13,17(22),18,20,24(29).25,27,32,34-hexadecaen-9-one
Alternate Name(s) 5,23-dihydro-14H-tribenzo[a,e,h]dibenzo[3,4:6,7]cyclohepta[1,2-c]cyclodecen-14-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H24O
InChI InChI=1S/C35H24O/c36-35-31-19-9-7-17-29(31)33-27-15-5-3-13-25(27)21-23-11-1-2-12-24(23)22-26-14-4-6-16-28(26)34(33)30-18-8-10-20-32(30)35/h1-20H,21-22H2
InChIKey ZALUUKPJEZPRFB-UHFFFAOYSA-N
Molecular Weight 460.576 g/mol
SMILES C12=C(c3c(cccc3)C(c3c1cccc3)=O)c1c(Cc3c(Cc4c2cccc4)cccc3)cccc1
SPLASH splash10-03di-0010900000-6fa3bdd71c9524ff04cb
Source of Spectrum J-57-4079-32
Wiley ID 1390711