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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-(acetyloxy)-4-(hydroxymethyl)-3-methoxy-1,6,9-trimethyl-11-oxo-, methyl ester
SpectraBase Compound ID 1xKaX3v12R5
InChI InChI=1S/C22H22O9/c1-9-7-14(27-5)13(8-23)20-15(9)22(26)31-19-11(3)17(29-12(4)24)16(21(25)28-6)10(2)18(19)30-20/h7,23H,8H2,1-6H3
InChIKey VLRGXFMNURCFQP-UHFFFAOYSA-N
Mol Weight 430.41 g/mol
Molecular Formula C22H22O9
Exact Mass 430.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPrQRKqMSG3
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-(acetyloxy)-4-(hydroxymethyl)-3-methoxy-1,6,9-trimethyl-11-oxo-, methyl ester
Alternate Name(s) Methyl 8-(acetyloxy)-4-(hydroxymethyl)-3-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylate Methyl 8-acetoxy-4-hydroxymethyl-3-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-11-one Methyl 8-acetoxy-9-hydroxymethyl-3-methoxy-1,4,6-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-11-one
CAS Registry Number 78023-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O9
InChI InChI=1S/C22H22O9/c1-9-7-14(27-5)13(8-23)20-15(9)22(26)31-19-11(3)17(29-12(4)24)16(21(25)28-6)10(2)18(19)30-20/h7,23H,8H2,1-6H3
InChIKey VLRGXFMNURCFQP-UHFFFAOYSA-N
Molecular Weight 430.409 g/mol
SMILES OCc1c2c(C(Oc3c(O2)c(c(c(OC(=O)C)c3C)C(=O)OC)C)=O)c(C)cc1OC
SPLASH splash10-004r-0129100000-c8921480f94f63fbd647
Source of Spectrum KC-1981-881-0
Wiley ID 1381459