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2-Benzofurancarbonitrile, 2,3,3a,4,5,7a-hexahydro-, (2.alpha.,3a.beta.,7a.beta.)-
SpectraBase Compound ID 2PbwkSE40LU
InChI InChI=1S/C9H11NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,7-9H,1,3,5H2/t7-,8-,9-/m1/s1
InChIKey KZIGFFIJTXSPKX-IWSPIJDZSA-N
Mol Weight 149.19 g/mol
Molecular Formula C9H11NO
Exact Mass 149.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhzBPZtGIXv
Name 2-Benzofurancarbonitrile, 2,3,3a,4,5,7a-hexahydro-, (2.alpha.,3a.beta.,7a.beta.)-
CAS Registry Number 129611-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO
InChI InChI=1S/C9H11NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h2,4,7-9H,1,3,5H2/t7-,8-,9-/m1/s1
InChIKey KZIGFFIJTXSPKX-IWSPIJDZSA-N
Molecular Weight 149.193 g/mol
SMILES [C@]12(O[C@](C[C@]2(CCC=C1)[H])(C#N)[H])[H]
SPLASH splash10-0a4i-9100000000-e14eeba6e833b80bce97
Source of Spectrum KC-1990-1406-15
Synonyms (1R(*),6R(*),8S(*))-9-oxabicyclo[4.3.0]non-2(3)-en-8-carbonitrile (2R,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-carbonitrile
Wiley ID 1146340