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LSEAUFLGHRDUTL-WWHUWWIYSA-N
SpectraBase Compound ID AWc5fpQAeQv
InChI InChI=1S/C13H11NO2/c14-4-7-10-11(7)13(16)9-6-2-1-5(3-6)8(9)12(10)15/h1-2,5-11H,3H2/t5-,6+,7+,8-,9+,10-,11+
InChIKey LSEAUFLGHRDUTL-WWHUWWIYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gxm7Vy3sERQ
Name 3,6-Methano-1H-cyclopropa[b]naphthalene-1-carbonitrile, 1a,2,2a,3,6,6a,7,7a-octahydro-2,7-dioxo-, (1.alpha.,1a.beta.,2a.alpha.,3.alpha.,6.alpha.,6a.alpha.,7a.beta.)-
CAS Registry Number 113158-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c14-4-7-10-11(7)13(16)9-6-2-1-5(3-6)8(9)12(10)15/h1-2,5-11H,3H2/t5-,6+,7+,8-,9+,10-,11+
InChIKey LSEAUFLGHRDUTL-WWHUWWIYSA-N
Molecular Weight 213.236 g/mol
SMILES [C@@]12([C@](C(=O)[C@@]3([C@](C2=O)([C@@]2(C=C[C@@]3([H])C2)[H])[H])[H])([H])[C@]1(C#N)[H])[H]
SPLASH splash10-014i-9000000000-f087ea9f0de16628d91c
Source of Spectrum K-121-1066-2
Synonyms (1R,2S,4S,6R,8R,9S)-3,7-dioxotetracyclo[7.2.1.0(2,8).0(4,6)]dodec-10-ene-5-carbonitrile
Wiley ID 1212678