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syn-phenanthro[9,10:1',2'][2.2]metacyclophan-1-ene
SpectraBase Compound ID F0XC6BgbTW
InChI InChI=1S/C28H20/c1-3-13-25-23(11-1)24-12-2-4-14-26(24)28-22-10-6-8-20(18-22)16-15-19-7-5-9-21(17-19)27(25)28/h1-14,17-18H,15-16H2
InChIKey LMSPGCDWCBIAGU-UHFFFAOYSA-N
Mol Weight 356.47 g/mol
Molecular Formula C28H20
Exact Mass 356.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuIC5VMfssy
Name syn-phenanthro[9,10:1',2'][2.2]metacyclophan-1-ene
Alternate Name(s) Hexacyclo[21.3.1.1(16,20).0(2,15).0(3,8).0(9,14)]octacosa-1(27),2(15),3,5,7,9,11,13,16(28),17,19,23,25-tridecaene
CAS Registry Number 115464-07-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20
InChI InChI=1S/C28H20/c1-3-13-25-23(11-1)24-12-2-4-14-26(24)28-22-10-6-8-20(18-22)16-15-19-7-5-9-21(17-19)27(25)28/h1-14,17-18H,15-16H2
InChIKey LMSPGCDWCBIAGU-UHFFFAOYSA-N
Molecular Weight 356.468 g/mol
SMILES c-12c(c3ccccc3c3c2cccc3)-c2cc(CCc3cc1ccc3)ccc2
SPLASH splash10-0a4i-0009000000-aad6cdfe9335e0839348
Source of Spectrum J-53-4476-14
Wiley ID 1346284