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Acetic acid, [[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, 2-(3,4-dihyd
SpectraBase Compound ID JJYRNnDSrzH
InChI InChI=1S/C27H42O5/c1-16(2)21-9-8-17(3)14-23(21)31-15-24(28)30-13-12-27(7)11-10-22-20(6)25(29)18(4)19(5)26(22)32-27/h16-17,21,23,29H,8-15H2,1-7H3
InChIKey AGUSVYPPWQNMQG-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VzhFUO842K
Name Acetic acid, [[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, 2-(3,4-dihyd
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820854
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-16(2)21-9-8-17(3)14-23(21)31-15-24(28)30-13-12-27(7)11-10-22-20(6)25(29)18(4)19(5)26(22)32-27/h16-17,21,23,29H,8-15H2,1-7H3
InChIKey AGUSVYPPWQNMQG-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES Oc1c(c(c2c(c1C)CCC(O2)(CCOC(=O)COC1C(CCC(C1)C)C(C)C)C)C)C
SPLASH splash10-004i-9100000000-ed3c9fbe15a7db42444f
Synonyms 2-(6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)ethyl[(2-isopropyl-5-methylcyclohexyl)oxy]acetate
Wiley ID 1472191