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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-
SpectraBase Compound ID 4Zx0fGJhaDD
InChI InChI=1S/C19H20O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h6-9,20-21H,5H2,1-4H3
InChIKey IALPVGUGWDYIDE-UHFFFAOYSA-N
Mol Weight 328.36 g/mol
Molecular Formula C19H20O5
Exact Mass 328.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4dfGopgd9M
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-
CAS Registry Number 67097-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O5
InChI InChI=1S/C19H20O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h6-9,20-21H,5H2,1-4H3
InChIKey IALPVGUGWDYIDE-UHFFFAOYSA-N
Molecular Weight 328.364 g/mol
SMILES Oc1cc(c2C(Oc3c(c(cc(c3C)O)C(C)CC)Oc2c1)=O)C
SPLASH splash10-004i-0196000000-9e57f73cda424bc6ece6
Source of Spectrum KC-1978-400-0
Synonyms 6-Sec-butyl-3,8-dihydroxy-1,9-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one 1-Butan-2-yl-3,9-dihydroxy-4,7-dimethyl-6-benzo[b][1,4]benzodioxepinone 1-Butan-2-yl-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one 1-Butan-2-yl-4,7-dimethyl-3,9-bis(oxidanyl)benzo[b][1,4]benzodioxepin-6-one 3,9-Dihydroxy-4,7-dimethyl-1-sec-butyl-benzo[b][1,4]benzodioxepin-6-one
Wiley ID 1326336