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mono(1,4-Epoxynaphtho)pentafurocalixarene
SpectraBase Compound ID AiDagpwJPyc
InChI InChI=1S/C48H54O6/c1-41(2)31-17-18-32(49-31)42(3,4)34-20-22-36(51-34)44(7,8)38-24-26-40(53-38)46(11,12)48-28-27-47(54-48,29-15-13-14-16-30(29)48)45(9,10)39-25-23-37(52-39)43(5,6)35-21-19-33(41)50-35/h13-26H,27-28H2,1-12H3
InChIKey AZYCFSLZLQKOJA-UHFFFAOYSA-N
Mol Weight 727.0 g/mol
Molecular Formula C48H54O6
Exact Mass 726.392039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwmvHKDDhVk
Name mono(1,4-Epoxynaphtho)pentafurocalixarene
Alternate Name(s) mono(1,4-Epoxytetrahydronaphtho)pentafurocalixarene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H54O6
InChI InChI=1S/C48H54O6/c1-41(2)31-17-18-32(49-31)42(3,4)34-20-22-36(51-34)44(7,8)38-24-26-40(53-38)46(11,12)48-28-27-47(54-48,29-15-13-14-16-30(29)48)45(9,10)39-25-23-37(52-39)43(5,6)35-21-19-33(41)50-35/h13-26H,27-28H2,1-12H3
InChIKey AZYCFSLZLQKOJA-UHFFFAOYSA-N
Molecular Weight 726.954 g/mol
SMILES C123OC(C(c4oc(C(c5oc(C(C)(C)c6oc(C(c7oc(C(c8oc(C3(C)C)cc8)(C)C)cc7)(C)C)cc6)cc5)(C)C)cc4)(C)C)(CC2)c2c1cccc2
SPLASH splash10-01rt-0212017900-b797e84fff413eea4133
Source of Spectrum QE-5-365-2
Wiley ID 843915