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4-(benzo[d][1,3]dioxol-5-ylmethylene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
SpectraBase Compound ID 2DP33rAmtfp
InChI InChI=1S/C22H26O3/c1-21(2,3)16-10-15(11-17(20(16)23)22(4,5)6)9-14-7-8-18-19(12-14)25-13-24-18/h7-12H,13H2,1-6H3
InChIKey FJTSOPUCUJYLPU-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wD3XcJNEFF
Name 4-(benzo[d][1,3]dioxol-5-ylmethylene)-2,6-di-tert-butylcyclohexa-2,5-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-21(2,3)16-10-15(11-17(20(16)23)22(4,5)6)9-14-7-8-18-19(12-14)25-13-24-18/h7-12H,13H2,1-6H3
InChIKey FJTSOPUCUJYLPU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 338.447 g/mol
SMILES c1c2c(cc(c1)C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)OCO2
SPLASH splash10-05gs-5179000000-302202caa824dba46b41
Source of Spectrum ACI-52-SMS4-1i
Wiley ID 1781565