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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3-(acetyloxy)-7-bromo-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-
SpectraBase Compound ID 52US9Gomzy5
InChI InChI=1S/C22H23BrO6/c1-7-10(2)17-18(23)19(26-6)12(4)20-21(17)28-15-9-14(27-13(5)24)8-11(3)16(15)22(25)29-20/h8-10H,7H2,1-6H3
InChIKey BHQWHMJCZWNYLB-UHFFFAOYSA-N
Mol Weight 463.32 g/mol
Molecular Formula C22H23BrO6
Exact Mass 462.067801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGLdA6uJKs8
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3-(acetyloxy)-7-bromo-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-acetate 7-Bromo-6-sec-butyl-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-3-yl acetate
CAS Registry Number 67097-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23BrO6
InChI InChI=1S/C22H23BrO6/c1-7-10(2)17-18(23)19(26-6)12(4)20-21(17)28-15-9-14(27-13(5)24)8-11(3)16(15)22(25)29-20/h8-10H,7H2,1-6H3
InChIKey BHQWHMJCZWNYLB-UHFFFAOYSA-N
Molecular Weight 463.324 g/mol
SMILES c12c(OC(=O)c3c(O2)cc(cc3C)OC(=O)C)c(C)c(c(c1C(CC)C)Br)OC
SPLASH splash10-001i-0009200000-b522cba46a6c8401e5c5
Source of Spectrum KC-1978-399-0
Wiley ID 1390955