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(+-)-(2.alpha.,2a.beta.,7a.beta.)-7a-Hydroxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene-2-carbonitrile
SpectraBase Compound ID 7BMhu98u2zC
InChI InChI=1S/C12H11NO/c13-7-9-6-12(14)5-8-3-1-2-4-10(8)11(9)12/h1-4,9,11,14H,5-6H2/t9-,11-,12+/m0/s1
InChIKey IYQDMOAQNVFCPZ-ZMLRMANQSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxmNmm3xIhb
Name (+-)-(2.alpha.,2a.beta.,7a.beta.)-7a-Hydroxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene-2-carbonitrile
Alternate Name(s) (2R,2aS,7aS)-7a-hydroxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene-2-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c13-7-9-6-12(14)5-8-3-1-2-4-10(8)11(9)12/h1-4,9,11,14H,5-6H2/t9-,11-,12+/m0/s1
InChIKey IYQDMOAQNVFCPZ-ZMLRMANQSA-N
Molecular Weight 185.226 g/mol
SMILES O[C@@]12[C@@](c3ccccc3C2)([H])[C@@](C1)(C#N)[H]
SPLASH splash10-001i-0900000000-6bb261f2868e499560f2
Source of Spectrum KC-0-56-20
Wiley ID 782931