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1,2-Benzenedicarbonitrile, 4,5-dichloro-3,6-bis[[4-cyclopropyl-5-(9H-fluoren-9-ylidene)-3-pentenyl]oxy]-, (Z,Z)-
SpectraBase Compound ID AF0vdZwrcs1
InChI InChI=1S/C50H38Cl2N2O2/c51-47-48(52)50(56-26-10-12-34(32-23-24-32)28-44-41-19-7-3-15-37(41)38-16-4-8-20-42(38)44)46(30-54)45(29-53)49(47)55-25-9-11-33(31-21-22-31)27-43-39-17-5-1-13-35(39)36-14-2-6-18-40(36)43/h1-8,11-20,27-28,31-32H,9-10,21-26H2/b33-11+,34-12+
InChIKey WNSLXOSJDQFCGR-QNIRRPGASA-N
Mol Weight 769.8 g/mol
Molecular Formula C50H38Cl2N2O2
Exact Mass 768.231034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEclaJAiOSt
Name 1,2-Benzenedicarbonitrile, 4,5-dichloro-3,6-bis[[4-cyclopropyl-5-(9H-fluoren-9-ylidene)-3-pentenyl]oxy]-, (Z,Z)-
CAS Registry Number 121125-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H38Cl2N2O2
InChI InChI=1S/C50H38Cl2N2O2/c51-47-48(52)50(56-26-10-12-34(32-23-24-32)28-44-41-19-7-3-15-37(41)38-16-4-8-20-42(38)44)46(30-54)45(29-53)49(47)55-25-9-11-33(31-21-22-31)27-43-39-17-5-1-13-35(39)36-14-2-6-18-40(36)43/h1-8,11-20,27-28,31-32H,9-10,21-26H2/b33-11+,34-12+
InChIKey WNSLXOSJDQFCGR-QNIRRPGASA-N
Molecular Weight 769.772 g/mol
SMILES C1(=C\C(C2CC2)=C/CCOc2c(c(C#N)c(c(c2Cl)Cl)OCC\C=C/(C=C2c3c(cccc3)-c3c2cccc3)C2CC2)C#N)c2c(cccc2)-c2c1cccc2
SPLASH splash10-0006-0090000000-a3aab1edbf024e12d92d
Source of Spectrum J-54-3866-13
Synonyms 4,5-Dichloro-3,6-bis{[(3Z)-4-cyclopropyl-5-(9H-fluoren-9-ylidene)-3-pentenyl]oxy}phthalonitrile
Wiley ID 1416690