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Dibenzo[a,c]cyclooctene-6,7-dicarboxylic acid, 5-(1-pyrrolidinyl)-, dimethyl ester
SpectraBase Compound ID Botvy0oaNYK
InChI InChI=1S/C24H23NO4/c1-28-23(26)20-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)22(21(20)24(27)29-2)25-13-7-8-14-25/h3-6,9-12,15H,7-8,13-14H2,1-2H3/b16-15-,18-17-,20-15+,21-20-,22-19+,22-21-
InChIKey QXSRNPWAXMYAAR-APFFUXCZSA-N
Mol Weight 389.45 g/mol
Molecular Formula C24H23NO4
Exact Mass 389.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApN7sD7IfEo
Name Dibenzo[a,c]cyclooctene-6,7-dicarboxylic acid, 5-(1-pyrrolidinyl)-, dimethyl ester
Alternate Name(s) Dimethyl 5-(1-pyrrolidinyl)dibenzo[a,c]cyclooctene-6,7-dicarboxylate Dimethyl 5-pyrrolidinodibenzo(a,c)cyclo-octene-6,7-dicarboxylate
CAS Registry Number 53756-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23NO4
InChI InChI=1S/C24H23NO4/c1-28-23(26)20-15-16-9-3-4-10-17(16)18-11-5-6-12-19(18)22(21(20)24(27)29-2)25-13-7-8-14-25/h3-6,9-12,15H,7-8,13-14H2,1-2H3/b16-15-,18-17-,20-15+,21-20-,22-19+,22-21-
InChIKey QXSRNPWAXMYAAR-APFFUXCZSA-N
Molecular Weight 389.451 g/mol
SMILES c12\C(=C/(\C(=C/c3c(-c2cccc1)cccc3)C(=O)OC)C(=O)OC)N1CCCC1
SPLASH splash10-00ri-0109000000-ea608a1028e4a184a905
Source of Spectrum KC-1977-1678-0
Wiley ID 1364405