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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3,4-dimethoxy-11-oxo-1,6-dipentyl-
SpectraBase Compound ID 5ilf5pUlRLD
InChI InChI=1S/C26H32O8/c1-5-7-9-11-15-13-18(31-3)23(32-4)24-20(15)26(30)33-19-14-17(27)21(25(28)29)16(22(19)34-24)12-10-8-6-2/h13-14,27H,5-12H2,1-4H3,(H,28,29)
InChIKey GHBZVNHEVHMKOB-UHFFFAOYSA-N
Mol Weight 472.5 g/mol
Molecular Formula C26H32O8
Exact Mass 472.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACcwg7N8EEM
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3,4-dimethoxy-11-oxo-1,6-dipentyl-
CAS Registry Number 63529-36-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O8
InChI InChI=1S/C26H32O8/c1-5-7-9-11-15-13-18(31-3)23(32-4)24-20(15)26(30)33-19-14-17(27)21(25(28)29)16(22(19)34-24)12-10-8-6-2/h13-14,27H,5-12H2,1-4H3,(H,28,29)
InChIKey GHBZVNHEVHMKOB-UHFFFAOYSA-N
Molecular Weight 472.534 g/mol
SMILES OC(c1c(c2Oc3c(C(Oc2cc1O)=O)c(cc(c3OC)OC)CCCCC)CCCCC)=O
SPLASH splash10-0uk9-0166900000-ddcf3d24e3272f3954cd
Source of Spectrum B-30-604-0
Synonyms 8-Hydroxy-3,4-dimethoxy-11-oxo-1,6-depentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid 8-Hydroxy-3,4-dimethoxy-11-oxo-1,6-dipentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
Wiley ID 1393357