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2,7-Bis(3,3-dimethylbutanoyl)-9,9-dimethylxanthene
SpectraBase Compound ID 7uD5u73E2l0
InChI InChI=1S/C27H34O3/c1-25(2,3)15-21(28)17-9-11-23-19(13-17)27(7,8)20-14-18(10-12-24(20)30-23)22(29)16-26(4,5)6/h9-14H,15-16H2,1-8H3
InChIKey XQRQMXUPBCDJLJ-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C27H34O3
Exact Mass 406.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dhHBk8o0pq
Name 2,7-Bis(3,3-dimethylbutanoyl)-9,9-dimethylxanthene
Alternate Name(s) 1,1'-(9,9-dimethyl-9H-xanthene-2,7-diyl)bis(3,3-dimethylbutan-1-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O3
InChI InChI=1S/C27H34O3/c1-25(2,3)15-21(28)17-9-11-23-19(13-17)27(7,8)20-14-18(10-12-24(20)30-23)22(29)16-26(4,5)6/h9-14H,15-16H2,1-8H3
InChIKey XQRQMXUPBCDJLJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200404066
Molecular Weight 406.566 g/mol
SMILES C1(c2cc(ccc2Oc2ccc(cc12)C(CC(C)(C)C)=O)C(CC(C)(C)C)=O)(C)C
SPLASH splash10-0006-1439000000-0d8c6c86252250d4675b
Source of Spectrum ASC-346-789/SM7-29
Wiley ID 1767625