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9-Cyano-1-isopropylidene-1H-cyclopent[a]azulene
SpectraBase Compound ID 9AFQtVkIxc
InChI InChI=1S/C17H13N/c1-11(2)12-8-9-15-13-6-4-3-5-7-14(13)16(10-18)17(12)15/h3-9H,1-2H3
InChIKey VNIHXNUMWKRFJB-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C17H13N
Exact Mass 231.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9salYQQPGbM
Name 9-Cyano-1-isopropylidene-1H-cyclopent[a]azulene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N
InChI InChI=1S/C17H13N/c1-11(2)12-8-9-15-13-6-4-3-5-7-14(13)16(10-18)17(12)15/h3-9H,1-2H3
InChIKey VNIHXNUMWKRFJB-UHFFFAOYSA-N
Molecular Weight 231.298 g/mol
SMILES c12c(c3cccccc3c2C#N)C=CC1=C(C)C
SPLASH splash10-001i-0090000000-6fdec90b36a1b544487e
Source of Spectrum AJ-66-2281-17
Synonyms 1-(1-methylethylidene)-1H-cyclopenta[a]azulene-9-carbonitrile
Wiley ID 772243