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Tetramethyl 9,10,19,20-tetraphenyl[4.4]paracyclophane-6,7,16,17-tetracarboxylate
SpectraBase Compound ID 5RXBjpSufsc
InChI InChI=1S/C52H48O8/c1-57-49(53)45-37-29-17-18-31-39-43(35-25-13-7-14-26-35)44(36-27-15-8-16-28-36)40(48(52(56)60-4)47(39)51(55)59-3)32-20-19-30-38(46(45)50(54)58-2)42(34-23-11-6-12-24-34)41(37)33-21-9-5-10-22-33/h5-16,21-28H,17-20,29-32H2,1-4H3
InChIKey JKEZPFQUPALCCC-UHFFFAOYSA-N
Mol Weight 800.9 g/mol
Molecular Formula C52H48O8
Exact Mass 800.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNMQzfuTdAO
Name Tetramethyl 9,10,19,20-tetraphenyl[4.4]paracyclophane-6,7,16,17-tetracarboxylate
Alternate Name(s) Tetramethyl 17,18,19,20-tetraphenyltricyclo[12.2.2.2(6,9)]icosa-1(16),6,8,14,17,19-hexaene-7,8,15,16-tetracarboxylate
CAS Registry Number 119337-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H48O8
InChI InChI=1S/C52H48O8/c1-57-49(53)45-37-29-17-18-31-39-43(35-25-13-7-14-26-35)44(36-27-15-8-16-28-36)40(48(52(56)60-4)47(39)51(55)59-3)32-20-19-30-38(46(45)50(54)58-2)42(34-23-11-6-12-24-34)41(37)33-21-9-5-10-22-33/h5-16,21-28H,17-20,29-32H2,1-4H3
InChIKey JKEZPFQUPALCCC-UHFFFAOYSA-N
Molecular Weight 800.948 g/mol
SMILES c1(c(c2CCCCc3c(c(c(c(c3C(=O)OC)C(=O)OC)CCCCc1c(c2-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-0fk9-0000000950-0f5791c6353b89e6f568
Source of Spectrum K-122-995-3
Wiley ID 1417178