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(2R,2aR,7aR)-7a-hydroxy-1,2,2a,7-tetrahydrocyclobuta[a]indene-2-carbonitrile
SpectraBase Compound ID 2nDY3bp6qWJ
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-WCQGTBRESA-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 C6Ek8u1w7Iw
Name (2R,2aR,7aR)-7a-hydroxy-1,2,2a,7-tetrahydrocyclobuta[a]indene-2-carbonitrile
Comments Less than 3 mono-isotopic peaks
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-WCQGTBRESA-N
Molecular Weight 185.226 g/mol
SMILES O[C@]12[C@](c3ccccc3C2)([H])[C@@](C1)(C#N)[H]
SPLASH splash10-001i-0900000000-7738082d765055f80c8d
Source of Spectrum KC-0-56-19
Synonyms (2R,2aR,7aR)-7a-hydroxy-1,2,2a,7-tetrahydrocyclobut[a]indene-2-carbonitrile (2R,2aR,7aR)-7a-oxidanyl-1,2,2a,7-tetrahydrocyclobuta[a]indene-2-carbonitrile
Wiley ID 782932