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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-
SpectraBase Compound ID 6pLdywZMmRf
InChI InChI=1S/C20H22O5/c1-6-10(2)14-9-15(23-5)12(4)18-19(14)24-16-8-13(21)7-11(3)17(16)20(22)25-18/h7-10,21H,6H2,1-5H3
InChIKey PKUGPVDZCUYGKK-UHFFFAOYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2OO6AQmvmS
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-
CAS Registry Number 67097-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-6-10(2)14-9-15(23-5)12(4)18-19(14)24-16-8-13(21)7-11(3)17(16)20(22)25-18/h7-10,21H,6H2,1-5H3
InChIKey PKUGPVDZCUYGKK-UHFFFAOYSA-N
Molecular Weight 342.391 g/mol
SMILES Oc1cc(C)c2c(c1)Oc1c(cc(c(C)c1OC2=O)OC)C(C)CC
SPLASH splash10-06r6-0298000000-5f8b019563247e51eafa
Source of Spectrum KC-1978-400-0
Synonyms 6-Sec-butyl-3-hydroxy-8-methoxy-1,9-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one 1-Butan-2-yl-3-methoxy-4,7-dimethyl-9-oxidanyl-benzo[b][1,4]benzodioxepin-6-one 1-Butan-2-yl-9-hydroxy-3-methoxy-4,7-dimethyl-6-benzo[b][1,4]benzodioxepinone 1-Butan-2-yl-9-hydroxy-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one 9-Hydroxy-3-methoxy-4,7-dimethyl-1-sec-butyl-benzo[b][1,4]benzodioxepin-6-one
Wiley ID 1336634