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Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-diacetonitr ile, 11,13-dimethoxy-, stereoisomer
SpectraBase Compound ID BcjqRNyDeVM
InChI InChI=1S/C22H22N2O2/c1-14-8-16-5-7-18-11-21(25-2)17(10-22(18)26-3)6-4-15(14)9-20(16)19(12-23)13-24/h8-11,19H,4-7H2,1-3H3
InChIKey NRDOVSQRPVRRQR-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C22H22N2O2
Exact Mass 346.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AsMABOwBKT
Name Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-diacetonitr ile, 11,13-dimethoxy-, stereoisomer
CAS Registry Number 68232-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O2
InChI InChI=1S/C22H22N2O2/c1-14-8-16-5-7-18-11-21(25-2)17(10-22(18)26-3)6-4-15(14)9-20(16)19(12-23)13-24/h8-11,19H,4-7H2,1-3H3
InChIKey NRDOVSQRPVRRQR-UHFFFAOYSA-N
Molecular Weight 346.430 g/mol
SMILES c1(c2cc(c(c1)CCc1c(OC)cc(CC2)c(OC)c1)C)C(C#N)C#N
SPLASH splash10-03dj-0904000000-ca2f4c428fdc74350b8e
Source of Spectrum K-116-2801-0
Synonyms 2-[11,13-dimethoxy-15-methyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]malononitrile Pseudogem-12,15-dimethoxy[2.2]paracyclophan-4,7-diacetonitrile Pseudoortho-12,15-dimethoxy[2.2]paracyclophan-4,7-diacetonitrile
Wiley ID 1339572