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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 7-bromo-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-
SpectraBase Compound ID KvbfJy3fRWT
InChI InChI=1S/C20H21BrO5/c1-6-9(2)15-16(21)17(24-5)11(4)18-19(15)25-13-8-12(22)7-10(3)14(13)20(23)26-18/h7-9,22H,6H2,1-5H3
InChIKey ZPAJUWUJFPGLDY-UHFFFAOYSA-N
Mol Weight 421.29 g/mol
Molecular Formula C20H21BrO5
Exact Mass 420.057237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAtjb1CbC
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 7-bromo-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-
Alternate Name(s) 7-Bromo-3-hydroxy-8-methoxy-1,9-dimethyl-6-S-butyldibenzo[b,e][1,4]-dioxepin-11-one 7-Bromo-6-sec-butyl-3-hydroxy-8-methoxy-1,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one
CAS Registry Number 67097-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BrO5
InChI InChI=1S/C20H21BrO5/c1-6-9(2)15-16(21)17(24-5)11(4)18-19(15)25-13-8-12(22)7-10(3)14(13)20(23)26-18/h7-9,22H,6H2,1-5H3
InChIKey ZPAJUWUJFPGLDY-UHFFFAOYSA-N
Molecular Weight 421.287 g/mol
SMILES Oc1cc(c2c(Oc3c(OC2=O)c(C)c(c(c3C(CC)C)Br)OC)c1)C
SPLASH splash10-0006-0009100000-05fe9ced8028641d46cf
Source of Spectrum KC-1978-399-0
Wiley ID 1377843