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Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarboxylic acid, dimethyl ester, [R*,R*-(E)]-
SpectraBase Compound ID DAvccz6IePT
InChI InChI=1S/C18H22O4/c1-21-17(19)15-9-7-13-3-5-14(6-4-13)8-10-16(12-11-15)18(20)22-2/h3-6,11-12,15-16H,7-10H2,1-2H3/b12-11-/t15-,16-/m1/s1
InChIKey BWBRWGXKSMLMOI-BSQDILAGSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4apJS82TThT
Name Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4,7-dicarboxylic acid, dimethyl ester, [R*,R*-(E)]-
Alternate Name(s) 4,7-Dimethylcarbonyl)-bicyclo[8.2.2]tetradeca-5-cis,10,12,13-tetraene Dimethyl (4R,7R)-bicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene-4,7-dicarboxylate
CAS Registry Number 36262-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-21-17(19)15-9-7-13-3-5-14(6-4-13)8-10-16(12-11-15)18(20)22-2/h3-6,11-12,15-16H,7-10H2,1-2H3/b12-11-/t15-,16-/m1/s1
InChIKey BWBRWGXKSMLMOI-BSQDILAGSA-N
Molecular Weight 302.370 g/mol
SMILES [C@@]1(\C=C/[C@@](CCc2ccc(CC1)cc2)(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-0frx-1910000000-6ebe33b51074816c8264
Source of Spectrum C-100-1812-0
Wiley ID 1304785