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1,2,2a,8b-Tetrahydro-2-oxocyclobuta[a] naphthalene-8-carbonitrile
SpectraBase Compound ID CQBwvKxHSfz
InChI InChI=1S/C13H9NO/c14-7-9-3-1-2-8-4-5-10-11(13(8)9)6-12(10)15/h1-5,10-11H,6H2
InChIKey BOXOJPPBQMLINM-UHFFFAOYSA-N
Mol Weight 195.22 g/mol
Molecular Formula C13H9NO
Exact Mass 195.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSjG1Jt55tU
Name 1,2,2a,8b-Tetrahydro-2-oxocyclobuta[a] naphthalene-8-carbonitrile
CAS Registry Number 143191-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9NO
InChI InChI=1S/C13H9NO/c14-7-9-3-1-2-8-4-5-10-11(13(8)9)6-12(10)15/h1-5,10-11H,6H2
InChIKey BOXOJPPBQMLINM-UHFFFAOYSA-N
Molecular Weight 195.221 g/mol
SMILES C12C(C=Cc3c2c(C#N)ccc3)C(C1)=O
SPLASH splash10-0udi-0900000000-fbeef96acf52a92263ee
Source of Spectrum K-126-241-5
Synonyms 2-Oxo-1,2,2a,8b-tetrahydrocyclobuta[a]naphthalene-8-carbonitrile
Wiley ID 1192273