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5-[(Benzoyloxy)methyl]decahydro-4,8-dimethyl-5-(4-methylpentyl)-2H-cyclobuta[ef]-1-benzoxepin-2-one
SpectraBase Compound ID XX1zd7fjQb
InChI InChI=1S/C27H38O4/c1-17(2)9-8-14-27(16-30-26(29)20-10-6-5-7-11-20)21-13-12-18(3)25-23(21)24(27)19(4)15-22(28)31-25/h5-7,10-11,17-19,21,23-25H,8-9,12-16H2,1-4H3
InChIKey AZVSOLATAICYQH-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKVt9BCH9cI
Name 5-[(Benzoyloxy)methyl]decahydro-4,8-dimethyl-5-(4-methylpentyl)-2H-cyclobuta[ef]-1-benzoxepin-2-one
Alternate Name(s) [4,8-dimethyl-5-(4-methylpentyl)-2-oxodecahydro-2H-cyclobuta[ef][1]benzoxepin-5-yl]methyl benzoate
CAS Registry Number 57743-83-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-17(2)9-8-14-27(16-30-26(29)20-10-6-5-7-11-20)21-13-12-18(3)25-23(21)24(27)19(4)15-22(28)31-25/h5-7,10-11,17-19,21,23-25H,8-9,12-16H2,1-4H3
InChIKey AZVSOLATAICYQH-UHFFFAOYSA-N
Molecular Weight 426.597 g/mol
SMILES C1(C2C(CC(=O)OC3C2C1CCC3C)C)(COC(=O)c1ccccc1)CCCC(C)C
SPLASH splash10-0a4i-0922000000-1d5d0f81cb33bd991c80
Source of Spectrum F-36-3259-0
Wiley ID 1380085