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Bicyclo[4.1.0]heptatrieno[2,3-a][2.2]paracyclophane
SpectraBase Compound ID 2IqRO9brjLt
InChI InChI=1S/C21H16/c1-2-15-5-9-17(10-6-15)21-19(12-11-18-13-20(18)21)16-7-3-14(1)4-8-16/h3-12H,1-2,13H2
InChIKey OWUMZXPJCUUQGS-UHFFFAOYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C21H16
Exact Mass 268.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PdPvShpB6h
Name Bicyclo[4.1.0]heptatrieno[2,3-a][2.2]paracyclophane
Alternate Name(s) Pentacyclo[13.2.2.2(9,12).0(2,8).0(3,5)]henicosa-1(17),2,5,7,9,11,15,18,20-nonaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16
InChI InChI=1S/C21H16/c1-2-15-5-9-17(10-6-15)21-19(12-11-18-13-20(18)21)16-7-3-14(1)4-8-16/h3-12H,1-2,13H2
InChIKey OWUMZXPJCUUQGS-UHFFFAOYSA-N
Molecular Weight 268.359 g/mol
SMILES c12c(ccc-3c2-c2ccc(cc2)CCc2ccc3cc2)C1
SPLASH splash10-014i-0090000000-fd8c2c0e6c6698f5feb1
Source of Spectrum F-55-10897-3
Wiley ID 839166