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trans-3'-Benzyl-6-methoxy-5,7,8-trimethylspiro[chromane-2,1'-cyclobutan]-3'-ol
SpectraBase Compound ID 4vkMXTYV5t
InChI InChI=1S/C23H28O3/c1-15-16(2)21-19(17(3)20(15)25-4)10-11-23(26-21)13-22(24,14-23)12-18-8-6-5-7-9-18/h5-9,24H,10-14H2,1-4H3
InChIKey AJRKNESXUFUDKC-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMyDhv9oIqZ
Name trans-3'-Benzyl-6-methoxy-5,7,8-trimethylspiro[chromane-2,1'-cyclobutan]-3'-ol
Appearance Colourless solid
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.203844759 u
Formula C23H28O3
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C23H28O3/c1-15-16(2)21-19(17(3)20(15)25-4)10-11-23(26-21)13-22(24,14-23)12-18-8-6-5-7-9-18/h5-9,24H,10-14H2,1-4H3
InChIKey AJRKNESXUFUDKC-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 352.474 g/mol
Quality 211
SMILES OC1(CC2(CCC=3C(=C(C(=C(C3O2)C)C)OC)C)C1)CC1=CC=CC=C1
SPLASH splash10-0uxr-2193000000-42cf950ae65cfccbf164
Source of Spectrum QE-27-SM10-11'c (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.40 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1901972