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trans-/cis-6-Methoxy-8-methylspiro[chromane-2,1'-cyclo-butan]-3'-ol
SpectraBase Compound ID 3LGzAgspT02
InChI InChI=1S/C14H18O3/c1-9-5-12(16-2)6-10-3-4-14(17-13(9)10)7-11(15)8-14/h5-6,11,15H,3-4,7-8H2,1-2H3
InChIKey JVRGPPUIHRZPRL-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbqcUb4Fkhc
Name trans-/cis-6-Methoxy-8-methylspiro[chromane-2,1'-cyclo-butan]-3'-ol
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 234.125594437 u
Formula C14H18O3
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C14H18O3/c1-9-5-12(16-2)6-10-3-4-14(17-13(9)10)7-11(15)8-14/h5-6,11,15H,3-4,7-8H2,1-2H3
InChIKey JVRGPPUIHRZPRL-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 234.295 g/mol
Quality 238
Reported Formula C14H18O3
SMILES OC1CC2(CCC3=C(C(=CC(=C3)OC)C)O2)C1
SPLASH splash10-0006-4900000000-cf70b5fd5ceb719df769
Sample Comments dr = 1:1
Source of Spectrum QE-27-SM72-trans, cis-S24 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.19 (SiO2, cHex/EtOAc 3:1)
Wiley ID 1902025