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Diethyl 3,3-dimethyl-1-phenyl-3,5,7,8-tetrahydro-6H-isochromene-6,6-dicarboxylate
SpectraBase Compound ID 777qt0sE8kp
InChI InChI=1S/C23H28O5/c1-5-26-20(24)23(21(25)27-6-2)13-12-18-17(15-23)14-22(3,4)28-19(18)16-10-8-7-9-11-16/h7-11,14H,5-6,12-13,15H2,1-4H3
InChIKey IKJCNFFDNFLHNV-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhVz790RTxC
Name Diethyl 3,3-dimethyl-1-phenyl-3,5,7,8-tetrahydro-6H-isochromene-6,6-dicarboxylate
Appearance Pale yellow oil
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-5-26-20(24)23(21(25)27-6-2)13-12-18-17(15-23)14-22(3,4)28-19(18)16-10-8-7-9-11-16/h7-11,14H,5-6,12-13,15H2,1-4H3
InChIKey IKJCNFFDNFLHNV-UHFFFAOYSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503293
Molecular Weight 384.472 g/mol
Quality 59
Reported Formula C23H28O5
SMILES C(C)OC(=O)C1(CC=2C(CC1)=C(OC(C2)(C)C)C1=CC=CC=C1)C(=O)OCC
SPLASH splash10-03e9-0009000000-4fbceb1c9749f0b71c7e
Source of Spectrum QE-21-SM14-5l (DOI: 10.1002/chem.201503293)
Wiley ID 1907281