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Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene-6,17-dicarboxylic acid, 13,15-bis(cyanomethyl)-, dimethyl ester, stereoisomer

View entire compound with spectra: 1 MS (GC)

Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene-6,17-dicarboxylic acid, 13,15-bis(cyanomethyl)-, dimethyl ester, stereoisomer
SpectraBase Compound ID 36y1ATzIgUC
InChI InChI=1S/C26H26N2O4/c1-31-25(29)23-15-22-8-4-6-18-14-19(9-11-27)17(13-20(18)10-12-28)5-3-7-21(23)16-24(22)26(30)32-2/h13-16H,3-10H2,1-2H3
InChIKey QHGSMMMYTWZHAL-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C26H26N2O4
Exact Mass 430.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OgOvlkf2G4
Name Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene-6,17-dicarboxylic acid, 13,15-bis(cyanomethyl)-, dimethyl ester, stereoisomer
CAS Registry Number 87386-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O4
InChI InChI=1S/C26H26N2O4/c1-31-25(29)23-15-22-8-4-6-18-14-19(9-11-27)17(13-20(18)10-12-28)5-3-7-21(23)16-24(22)26(30)32-2/h13-16H,3-10H2,1-2H3
InChIKey QHGSMMMYTWZHAL-UHFFFAOYSA-N
Molecular Weight 430.504 g/mol
SMILES c1(cc2CCCc3c(cc(CCCc1cc2C(=O)OC)c(c3)CC#N)CC#N)C(=O)OC
SPLASH splash10-00kb-0009200000-e8ad0302b9105c7eeabe
Source of Spectrum K-116-2844-0
Synonyms Dimethyl 13,15-bis(cyanomethyl)tricyclo[10.2.2.2(5,8)]octadeca-1(14),5,7,12,15,17-hexaene-6,17-dicarboxylate Dimethylester of 14,17-bis(cyanomethyl)[3.3]paracyclophan-5,8-dicarboxylic acid
Wiley ID 1381648