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trans-3'-(2-(Benzyloxy)ethyl)-6-methoxy-5,7,8-trimethylspiro-[chromane-2,1'-cyclobutan]-3'-ol
SpectraBase Compound ID 3dsdtITIZuG
InChI InChI=1S/C25H32O4/c1-17-18(2)23-21(19(3)22(17)27-4)10-11-25(29-23)15-24(26,16-25)12-13-28-14-20-8-6-5-7-9-20/h5-9,26H,10-16H2,1-4H3
InChIKey JLIHICACTNHZGU-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OFrbq4d8S1
Name trans-3'-(2-(Benzyloxy)ethyl)-6-methoxy-5,7,8-trimethylspiro-[chromane-2,1'-cyclobutan]-3'-ol
Appearance Colourless solid
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 396.230059506 u
Formula C25H32O4
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C25H32O4/c1-17-18(2)23-21(19(3)22(17)27-4)10-11-25(29-23)15-24(26,16-25)12-13-28-14-20-8-6-5-7-9-20/h5-9,26H,10-16H2,1-4H3
InChIKey JLIHICACTNHZGU-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 396.527 g/mol
Quality 289
SMILES OC1(CC2(OC3=C(C(=C(C(=C3C)C)OC)C)CC2)C1)CCOCC1=CC=CC=C1
SPLASH splash10-0gdl-5391000000-f4e3cf9496a7765c54c6
Source of Spectrum QE-27-SM19-11'h (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.31 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1901976