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Tetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 3xjKc9xkis2
InChI InChI=1S/C21H18O4/c1-21-14-10-6-4-8-12(14)16(13-9-5-7-11-15(13)21)17(19(22)24-2)18(21)20(23)25-3/h4-11,16H,1-3H3/t16-,21+
InChIKey VUPJQGOQUCLOOM-NBEIKUQISA-N
Mol Weight 334.37 g/mol
Molecular Formula C21H18O4
Exact Mass 334.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dGWAz3hWS
Name Tetracyclo[6.6.2.0(2,7).0(9,14)]hexadeca-2,4,6,9,11,13,15-heptaene-15,16-dicarboxylic acid, dimethyl ester
CAS Registry Number 58802-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18O4
InChI InChI=1S/C21H18O4/c1-21-14-10-6-4-8-12(14)16(13-9-5-7-11-15(13)21)17(19(22)24-2)18(21)20(23)25-3/h4-11,16H,1-3H3/t16-,21+
InChIKey VUPJQGOQUCLOOM-NBEIKUQISA-N
Molecular Weight 334.371 g/mol
SMILES c1cc2c(cc1)[C@]1(c3c([C@@]2(C(C(=O)OC)=C1C(=O)OC)[H])cccc3)C
SPLASH splash10-01b9-0291000000-8f98bb2840c843159ee2
Wiley ID 1474455