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Methyl diffractate
SpectraBase Compound ID KE82boqH7Ki
InChI InChI=1S/C21H24O7/c1-10-8-15(13(4)18(22)16(10)20(23)27-7)28-21(24)17-12(3)14(25-5)9-11(2)19(17)26-6/h8-9,22H,1-7H3
InChIKey QEOCRWDERYMHNZ-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73mfNO3LSLz
Name Methyl diffractate
Alternate Name(s) 2',5'-Dimethyl-3'-hydroxy-4'-(methoxycarbonyl)phenyl 2,5-dimethyl-3,6-dimethoxybenzoate Methyl 4-[(2,5-dimethoxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,6-dimethylbenzoate
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Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-10-8-15(13(4)18(22)16(10)20(23)27-7)28-21(24)17-12(3)14(25-5)9-11(2)19(17)26-6/h8-9,22H,1-7H3
InChIKey QEOCRWDERYMHNZ-UHFFFAOYSA-N
Molecular Weight 388.416 g/mol
SMILES Oc1c(c(OC(c2c(c(C)cc(c2C)OC)OC)=O)cc(c1C(=O)OC)C)C
SPLASH splash10-0gyc-0901000000-1ddea5be60c17879f663
Source of Spectrum X2-50-746-1
Wiley ID 1602358