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4-(4-bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one

View entire compound with spectra: 1 MS (GC)

4-(4-bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
SpectraBase Compound ID 3lQ1ApdHxmW
InChI InChI=1S/C21H25BrO/c1-20(2,3)17-12-15(11-14-7-9-16(22)10-8-14)13-18(19(17)23)21(4,5)6/h7-13H,1-6H3
InChIKey UWAVGFQNQOCUQH-UHFFFAOYSA-N
Mol Weight 373.33 g/mol
Molecular Formula C21H25BrO
Exact Mass 372.108878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SjTKfXX72
Name 4-(4-bromobenzylidene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25BrO
InChI InChI=1S/C21H25BrO/c1-20(2,3)17-12-15(11-14-7-9-16(22)10-8-14)13-18(19(17)23)21(4,5)6/h7-13H,1-6H3
InChIKey UWAVGFQNQOCUQH-UHFFFAOYSA-N
Molecular Weight 373.334 g/mol
SMILES c1c(ccc(C=C2C=C(C(C(=C2)C(C)(C)C)=O)C(C)(C)C)c1)Br
SPLASH splash10-0aor-2009000000-df99daf27885c1303443
Source of Spectrum ACI-52-SMS2-1c
Wiley ID 1781559