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Dispiro[cyclohexane-1,1'-(4-cyanomethylidene-1',7'-dihydrocyclopenta[f]azulene)-7',1"-cyclohexane]
SpectraBase Compound ID JX9ajQob1yQ
InChI InChI=1S/C26H26N2/c27-17-19(18-28)24-20-9-15-25(11-3-1-4-12-25)22(20)7-8-23-21(24)10-16-26(23)13-5-2-6-14-26/h7-10,15-16H,1-6,11-14H2
InChIKey WRMJKNBIPNYZDR-UHFFFAOYSA-N
Mol Weight 366.51 g/mol
Molecular Formula C26H26N2
Exact Mass 366.209599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbUlJO3k8zC
Name Dispiro[cyclohexane-1,1'-(4-cyanomethylidene-1',7'-dihydrocyclopenta[f]azulene)-7',1"-cyclohexane]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2
InChI InChI=1S/C26H26N2/c27-17-19(18-28)24-20-9-15-25(11-3-1-4-12-25)22(20)7-8-23-21(24)10-16-26(23)13-5-2-6-14-26/h7-10,15-16H,1-6,11-14H2
InChIKey WRMJKNBIPNYZDR-UHFFFAOYSA-N
Molecular Weight 366.508 g/mol
SMILES C=12C(C3=C(C4(CCCCC4)C=C3)C=CC1C1(CCCCC1)C=C2)=C(C#N)C#N
SPLASH splash10-014i-0009000000-1fea88da438ba7fb9a5e
Source of Spectrum F-20-592-9
Wiley ID 1631931