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2,3-di-tert-butoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 5ov27DWudXM
InChI InChI=1S/C21H26O4/c1-20(2,3)24-18-16(22)13-15(12-14-10-8-7-9-11-14)17(23)19(18)25-21(4,5)6/h7-11,13H,12H2,1-6H3
InChIKey ZRZQTZGTPQRDCB-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FP8T0zm8mTo
Name 2,3-di-tert-butoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 124175-78-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-20(2,3)24-18-16(22)13-15(12-14-10-8-7-9-11-14)17(23)19(18)25-21(4,5)6/h7-11,13H,12H2,1-6H3
InChIKey ZRZQTZGTPQRDCB-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)Cc1ccccc1)OC(C)(C)C)OC(C)(C)C
SPLASH splash10-0a4i-9030000000-a0bed2bfe1617bcda3fd
Source of Spectrum J-55-1181-12
Synonyms 5-benzyl-2,3-ditert-butoxybenzo-1,4-quinone
Wiley ID 1336804