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7-Oxo-2,2a,7,11b-tetrahydro-1H-dibenzo[a,E]cyclobuta[c]cycloheptene-1-carbonitrile
SpectraBase Compound ID 8whlO9vTA8X
InChI InChI=1S/C18H13NO/c19-10-11-9-16-12-5-1-3-7-14(12)18(20)15-8-4-2-6-13(15)17(11)16/h1-8,11,16-17H,9H2
InChIKey FQODWORKNDTMNF-UHFFFAOYSA-N
Mol Weight 259.31 g/mol
Molecular Formula C18H13NO
Exact Mass 259.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ey3V7Aom06l
Name 7-Oxo-2,2a,7,11b-tetrahydro-1H-dibenzo[a,E]cyclobuta[c]cycloheptene-1-carbonitrile
Alternate Name(s) Cyclobuta[a]dibenzo[c,f]cyclohepten-7-one, 2-cyano-1,2,2a,11b(7H)-tetrahydro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13NO
InChI InChI=1S/C18H13NO/c19-10-11-9-16-12-5-1-3-7-14(12)18(20)15-8-4-2-6-13(15)17(11)16/h1-8,11,16-17H,9H2
InChIKey FQODWORKNDTMNF-UHFFFAOYSA-N
Molecular Weight 259.308 g/mol
SMILES c1cc2c(cc1)C(c1c(C3C2CC3C#N)cccc1)=O
SPLASH splash10-056r-4940000000-4e163bad4d6491515d0f
Wiley ID 1475581