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2-tert-Butoxy-3-n-butyl-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID KzzDoAlwYSv
InChI InChI=1S/C21H26O3/c1-5-6-12-17-19(23)16(13-15-10-8-7-9-11-15)14-18(22)20(17)24-21(2,3)4/h7-11,14H,5-6,12-13H2,1-4H3
InChIKey CRKYNINBRBXHSV-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5u2O6qYHU2
Name 2-tert-Butoxy-3-n-butyl-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 124175-75-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-5-6-12-17-19(23)16(13-15-10-8-7-9-11-15)14-18(22)20(17)24-21(2,3)4/h7-11,14H,5-6,12-13H2,1-4H3
InChIKey CRKYNINBRBXHSV-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)Cc1ccccc1)OC(C)(C)C)CCCC
SPLASH splash10-0a4i-9020000000-7b492bcf75871fb1344b
Source of Spectrum J-55-1181-9
Synonyms 5-Benzyl-2-tert-butoxy-3-butylbenzo-1,4-quinone
Wiley ID 1325108