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4-Bromo-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane

View entire compound with spectra: 1 MS (GC)

4-Bromo-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane
SpectraBase Compound ID HD1TJ0wAgtI
InChI InChI=1S/C21H22BrNO/c1-21(2)13-24-20(23-21)18-11-14-3-4-15-6-8-17(19(22)12-15)10-9-16(18)7-5-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKey ZDZJVJSKZYICMA-UHFFFAOYSA-N
Mol Weight 384.32 g/mol
Molecular Formula C21H22BrNO
Exact Mass 383.088477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GYHZvL3NGA
Name 4-Bromo-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO
InChI InChI=1S/C21H22BrNO/c1-21(2)13-24-20(23-21)18-11-14-3-4-15-6-8-17(19(22)12-15)10-9-16(18)7-5-14/h5-8,11-12H,3-4,9-10,13H2,1-2H3
InChIKey ZDZJVJSKZYICMA-UHFFFAOYSA-N
Molecular Weight 384.317 g/mol
SMILES C1(=NC(C)(C)CO1)c1c2CCc3c(cc(CCc(c1)cc2)cc3)Br
SPLASH splash10-0a4i-2592000000-872ee542f0e103d4d562
Source of Spectrum F-56-7335-11
Wiley ID 858398