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anti-[2.2](1,4)naphthalenometacyclophane
SpectraBase Compound ID JqqdP4O78hN
InChI InChI=1S/C20H18/c1-2-7-20-18-11-9-16-5-3-4-15(14-16)8-10-17(12-13-18)19(20)6-1/h1-7,12-14H,8-11H2
InChIKey GRXQBAZGNLRHNO-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C20H18
Exact Mass 258.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdkRatMfWPe
Name anti-[2.2](1,4)naphthalenometacyclophane
Alternate Name(s) Tetracyclo[9.6.2.1(4,8).0(12,17)]icosa-1(17),4(20),5,7,11,13,15,18-octaene
CAS Registry Number 116073-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18
InChI InChI=1S/C20H18/c1-2-7-20-18-11-9-16-5-3-4-15(14-16)8-10-17(12-13-18)19(20)6-1/h1-7,12-14H,8-11H2
InChIKey GRXQBAZGNLRHNO-UHFFFAOYSA-N
Molecular Weight 258.364 g/mol
SMILES c12c(c3ccc2CCc2cc(CC3)ccc2)cccc1
SPLASH splash10-0zfu-0590000000-b49fe1368b8d37f3eeca
Source of Spectrum J-54-5994-0
Wiley ID 1262417