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(1R,2R)-2-Isopropyl-4,5,6-trimethyl-1,2,3,4-tetrahydro- [1,1-biphenyl]-2-yl 3,5-Dimethoxybenzoate
SpectraBase Compound ID IQBQMtraLgY
InChI InChI=1S/C27H34O4/c1-16(2)23-9-8-17(3)11-24(23)26-19(5)10-18(4)12-25(26)31-27(28)20-13-21(29-6)15-22(14-20)30-7/h10-16,23-24H,8-9H2,1-7H3/t23-,24+/m1/s1
InChIKey ZMUNBAHXBGTILL-RPWUZVMVSA-N
Mol Weight 422.6 g/mol
Molecular Formula C27H34O4
Exact Mass 422.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoTuNZlfQ0u
Name (1R,2R)-2-Isopropyl-4,5,6-trimethyl-1,2,3,4-tetrahydro- [1,1-biphenyl]-2-yl 3,5-Dimethoxybenzoate
Appearance Colourless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O4
InChI InChI=1S/C27H34O4/c1-16(2)23-9-8-17(3)11-24(23)26-19(5)10-18(4)12-25(26)31-27(28)20-13-21(29-6)15-22(14-20)30-7/h10-16,23-24H,8-9H2,1-7H3/t23-,24+/m1/s1
InChIKey ZMUNBAHXBGTILL-RPWUZVMVSA-N
Instrument Name EI-TOF Waters
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800340
Molecular Weight 422.565 g/mol
Reported Formula C27H34O4
SMILES c1c(c(c(cc1C)OC(c1cc(cc(c1)OC)OC)=O)[C@@]1([C@](CCC(=C1)C)(C(C)C)[H])[H])C
SPLASH splash10-014i-0910000000-882975daa56bba72bc14
Source of Spectrum U1-2019-367-1g
Thin-Layer Chromatography Rf = 0.35 (petroleum ether)
Wiley ID 1843639