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[2.2]paracyclophane-4-methyl(bromoacetate)
SpectraBase Compound ID FTIO7gj424O
InChI InChI=1S/C19H19BrO2/c1-13-10-15-3-2-14-4-7-16(8-5-14)18(22-19(21)12-20)11-17(13)9-6-15/h4-10,18H,2-3,11-12H2,1H3
InChIKey SZILMCBLDLPOJD-UHFFFAOYSA-N
Mol Weight 359.26 g/mol
Molecular Formula C19H19BrO2
Exact Mass 358.056843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvhJ2Ym5BaO
Name [2.2]paracyclophane-4-methyl(bromoacetate)
CAS Registry Number 108869-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19BrO2
InChI InChI=1S/C19H19BrO2/c1-13-10-15-3-2-14-4-7-16(8-5-14)18(22-19(21)12-20)11-17(13)9-6-15/h4-10,18H,2-3,11-12H2,1H3
InChIKey SZILMCBLDLPOJD-UHFFFAOYSA-N
Molecular Weight 359.263 g/mol
SMILES C1(Cc2c(cc(cc2)CCc2ccc1cc2)C)OC(=O)CBr
SPLASH splash10-0uxr-0902000000-0b53eee1669f10f89301
Source of Spectrum K-120-1828-8
Synonyms 5-Methyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-2-yl bromoacetate
Wiley ID 1346976