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bis(1-methylethyl) 4,7-dihydroxy-2-(6-methoxy-2,6-dimethylheptyl)-3,5,7-cycloheptatriene-1,3-dicarboxylate
SpectraBase Compound ID IHsGhbU8A6b
InChI InChI=1S/C25H40O7/c1-15(2)31-23(28)21-18(14-17(5)10-9-13-25(6,7)30-8)22(24(29)32-16(3)4)20(27)12-11-19(21)26/h11-12,15-18,26-27H,9-10,13-14H2,1-8H3
InChIKey QSYUEBZLIPSHEF-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C25H40O7
Exact Mass 452.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XM9o8lQdBJ
Name bis(1-methylethyl) 4,7-dihydroxy-2-(6-methoxy-2,6-dimethylheptyl)-3,5,7-cycloheptatriene-1,3-dicarboxylate
Alternate Name(s) diisopropyl 4,7-dihydroxy-2-(6-methoxy-2,6-dimethylheptyl)cyclohepta-3,5,7-triene-1,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O7
InChI InChI=1S/C25H40O7/c1-15(2)31-23(28)21-18(14-17(5)10-9-13-25(6,7)30-8)22(24(29)32-16(3)4)20(27)12-11-19(21)26/h11-12,15-18,26-27H,9-10,13-14H2,1-8H3
InChIKey QSYUEBZLIPSHEF-UHFFFAOYSA-N
Molecular Weight 452.588 g/mol
SMILES OC1=C(C(C(=C(C=C1)O)C(OC(C)C)=O)CC(CCCC(C)(C)OC)C)C(=O)OC(C)C
SPLASH splash10-0002-0090000000-c46f4bd7f109013a9fa0
Source of Spectrum HAC-9-416-7b
Wiley ID 1783185