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3,6-bis[(p-Methoxycarbonyl)phenyl]tetracyclo[5.4.0.0(2,9).0(8,10)]undeca-3,5-dieno[4,5-d]acenaphthylene
SpectraBase Compound ID KpjWEQegCWX
InChI InChI=1S/C37H28O4/c1-40-36(38)21-13-9-19(10-14-21)28-30-23-7-3-5-18-6-4-8-24(27(18)23)31(30)29(20-11-15-22(16-12-20)37(39)41-2)33-25-17-26-34(32(25)28)35(26)33/h3-16,25-26,32-35H,17H2,1-2H3/t25-,26+,32-,33+,34+,35-
InChIKey CPWUTHAGDKAQRL-LUSYVKEISA-N
Mol Weight 536.6 g/mol
Molecular Formula C37H28O4
Exact Mass 536.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bk3AVluiBo
Name 3,6-bis[(p-Methoxycarbonyl)phenyl]tetracyclo[5.4.0.0(2,9).0(8,10)]undeca-3,5-dieno[4,5-d]acenaphthylene
Comments Less than 3 mono-isotopic peaks
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Formula C37H28O4
InChI InChI=1S/C37H28O4/c1-40-36(38)21-13-9-19(10-14-21)28-30-23-7-3-5-18-6-4-8-24(27(18)23)31(30)29(20-11-15-22(16-12-20)37(39)41-2)33-25-17-26-34(32(25)28)35(26)33/h3-16,25-26,32-35H,17H2,1-2H3/t25-,26+,32-,33+,34+,35-
InChIKey CPWUTHAGDKAQRL-LUSYVKEISA-N
Molecular Weight 536.627 g/mol
SMILES C1=2C(=C([C@]3([C@]4([C@]([C@@]5([C@]3([C@]5(C4)[H])[H])[H])(C2c2ccc(C(=O)OC)cc2)[H])[H])[H])c2ccc(C(=O)OC)cc2)c2cccc3c2c1ccc3
SPLASH splash10-00di-0000930000-15a555df8208695c4d4d
Source of Spectrum C-128-6882-14e
Wiley ID 1701721