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15-Bromo-tricyclo[10.2.2.2*5,8*]octadeca-1(15),5(18),6,8(17),12(16)-hexaene-6-carboxylic acid methyl ester
SpectraBase Compound ID kWBzzfV9tk
InChI InChI=1S/C20H21BrO2/c1-23-20(22)18-12-14-4-2-5-15-9-11-17(19(21)13-15)7-3-6-16(18)10-8-14/h8-13H,2-7H2,1H3
InChIKey ZPKLWEGRDPVOLE-UHFFFAOYSA-N
Mol Weight 373.29 g/mol
Molecular Formula C20H21BrO2
Exact Mass 372.072493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jed0XpCJtgO
Name 15-Bromo-tricyclo[10.2.2.2*5,8*]octadeca-1(15),5(18),6,8(17),12(16)-hexaene-6-carboxylic acid methyl ester
Alternate Name(s) 17-bromo[3.3]paracyclophane-5-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrO2
InChI InChI=1S/C20H21BrO2/c1-23-20(22)18-12-14-4-2-5-15-9-11-17(19(21)13-15)7-3-6-16(18)10-8-14/h8-13H,2-7H2,1H3
InChIKey ZPKLWEGRDPVOLE-UHFFFAOYSA-N
Molecular Weight 373.290 g/mol
SMILES c1(C(=O)OC)c2ccc(c1)CCCc1cc(c(CCC2)cc1)Br
SPLASH splash10-05fr-0439000000-cd4fd56fbe9c55308766
Source of Spectrum U1-2009-249-37f
Wiley ID 1662354