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2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(phenylmethyl)-6-(2-propenyl)-
SpectraBase Compound ID 8KvvaG7oZ09
InChI InChI=1S/C18H18O4/c1-4-8-13-14(11-12-9-6-5-7-10-12)16(20)18(22-3)17(21-2)15(13)19/h4-7,9-10H,1,8,11H2,2-3H3
InChIKey XJNXUGMVOINAFC-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nI6tcEH8u0
Name 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(phenylmethyl)-6-(2-propenyl)-
Alternate Name(s) 2,3-Dimethoxy-5-(phenylmethyl)-6-(2-propenyl)-2,5-cyclohexadiene-1,4-dione 2-Allyl-3-benzyl-5,6-dimethoxybenzo-1,4-quinone
CAS Registry Number 102683-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-4-8-13-14(11-12-9-6-5-7-10-12)16(20)18(22-3)17(21-2)15(13)19/h4-7,9-10H,1,8,11H2,2-3H3
InChIKey XJNXUGMVOINAFC-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES C=1(C(C(OC)=C(C(C1CC=C)=O)OC)=O)Cc1ccccc1
SPLASH splash10-00kg-8690000000-859afa622e57e26d40f2
Source of Spectrum C-111-989-48
Wiley ID 1301096