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trans-6-Methoxy-8-methylspiro[chromane-2,1'-cyclobutan]-3'-yl pivalate
SpectraBase Compound ID wx98RT3qM5
InChI InChI=1S/C19H26O4/c1-12-8-14(21-5)9-13-6-7-19(23-16(12)13)10-15(11-19)22-17(20)18(2,3)4/h8-9,15H,6-7,10-11H2,1-5H3
InChIKey FMMFVSHFSOGLNG-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPVAzsrMPyR
Name trans-6-Methoxy-8-methylspiro[chromane-2,1'-cyclobutan]-3'-yl pivalate
Appearance Pale-yellow or white solid
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 318.183109313 u
Formula C19H26O4
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C19H26O4/c1-12-8-14(21-5)9-13-6-7-19(23-16(12)13)10-15(11-19)22-17(20)18(2,3)4/h8-9,15H,6-7,10-11H2,1-5H3
InChIKey FMMFVSHFSOGLNG-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 318.413 g/mol
Quality 163
Reported Formula C19H26O4
SMILES C1=C(C=C(C2=C1CCC1(O2)CC(C1)OC(C(C)(C)C)=O)C)OC
SPLASH splash10-05mo-5913000000-4e548158e5ae3f277e9b
Source of Spectrum QE-27-SM70-trans-37 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.53 (SiO2, cHex/EtOAc, 5:1)
Wiley ID 1902028