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2-(cis-3'-Hydroxy-6-methoxy-5,7,8-trimethylspiro[chromane-2,1'-cyclobutan]-3'-yl)ethyl acetate
SpectraBase Compound ID H0A5ll82uBQ
InChI InChI=1S/C20H28O5/c1-12-13(2)18-16(14(3)17(12)23-5)6-7-20(25-18)10-19(22,11-20)8-9-24-15(4)21/h22H,6-11H2,1-5H3
InChIKey YLRBYGFDKJJHHM-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jYjAAho1RQ
Name 2-(cis-3'-Hydroxy-6-methoxy-5,7,8-trimethylspiro[chromane-2,1'-cyclobutan]-3'-yl)ethyl acetate
Appearance Colourless solid
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 348.193673997 u
Formula C20H28O5
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C20H28O5/c1-12-13(2)18-16(14(3)17(12)23-5)6-7-20(25-18)10-19(22,11-20)8-9-24-15(4)21/h22H,6-11H2,1-5H3
InChIKey YLRBYGFDKJJHHM-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 348.439 g/mol
Quality 243
SMILES OC1(CC2(OC3=C(C(=C(C(=C3C)C)OC)C)CC2)C1)CCOC(C)=O
SPLASH splash10-0gb9-1291000000-4c53115ef6e1fb920043
Source of Spectrum QE-27-SM17-11'f (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.73 (SiO2, cHex/EtOAc, 1:1)
Wiley ID 1901974