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3-(pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-yl)propanoic acid
SpectraBase Compound ID 1y9NM8ZLBx8
InChI InChI=1S/C23H18O2/c24-21(25)13-14-23-18-10-4-1-7-15(18)22(16-8-2-5-11-19(16)23)17-9-3-6-12-20(17)23/h1-12,22H,13-14H2,(H,24,25)
InChIKey RUBYKDGHDGGDLO-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C23H18O2
Exact Mass 326.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LT9rPxg0sqt
Name 3-(pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-1-yl)propanoic acid
Alternate Name(s) 3-(9,10-dihydro-9,10-[1,2]benzenoanthracen-9-yl)propanoic acid
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Formula C23H18O2
InChI InChI=1S/C23H18O2/c24-21(25)13-14-23-18-10-4-1-7-15(18)22(16-8-2-5-11-19(16)23)17-9-3-6-12-20(17)23/h1-12,22H,13-14H2,(H,24,25)
InChIKey RUBYKDGHDGGDLO-UHFFFAOYSA-N
Molecular Weight 326.395 g/mol
SMILES OC(CCC12c3ccccc3C(c3c2cccc3)c2c1cccc2)=O
SPLASH splash10-0udi-0292000000-f3901048ab834c465eaf
Source of Spectrum JX-2015-3-436
Wiley ID 1724003