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Dimethyl 10,11-(3',6'-dihydro-3',6'-dimethylbenzo)[3.2]paracyclophane-4',5'-dicarboxylate
SpectraBase Compound ID 2YENC7Ov2Ux
InChI InChI=1S/C27H28O4/c1-16-5-6-17(2)23-19-10-7-18(8-11-19)9-12-20-13-14-21(15-22(16)23)25(27(29)31-4)24(20)26(28)30-3/h5-8,10-11,13-14,16-17H,9,12,15H2,1-4H3
InChIKey OREJRCTYDKAUFS-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C27H28O4
Exact Mass 416.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BDf7dwEtxQ
Name Dimethyl 10,11-(3',6'-dihydro-3',6'-dimethylbenzo)[3.2]paracyclophane-4',5'-dicarboxylate
CAS Registry Number 121732-59-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O4
InChI InChI=1S/C27H28O4/c1-16-5-6-17(2)23-19-10-7-18(8-11-19)9-12-20-13-14-21(15-22(16)23)25(27(29)31-4)24(20)26(28)30-3/h5-8,10-11,13-14,16-17H,9,12,15H2,1-4H3
InChIKey OREJRCTYDKAUFS-UHFFFAOYSA-N
Molecular Weight 416.517 g/mol
SMILES C12=C(c3ccc(cc3)CCc3ccc(C1)c(c3C(=O)OC)C(=O)OC)C(C)C=CC2C
SPLASH splash10-014i-0009600000-43e7425fe092664b27ec
Source of Spectrum K-122-2301-12
Synonyms Dimethyl 3,6-dimethyltetracyclo[13.2.2.2(9,12).0(2,7)]henicosa-1(17),2(7),4,9,11,15,18,20-octaene-10,11-dicarboxylate
Wiley ID 1376560