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3-[(R)-5,5-Dimethyl-4-(2-oxo-ethyl)-cyclopent-1-enyl]-propionitrile
SpectraBase Compound ID 2rIkqsMG7jc
InChI InChI=1S/C12H17NO/c1-12(2)10(4-3-8-13)5-6-11(12)7-9-14/h5,9,11H,3-4,6-7H2,1-2H3/t11-/m1/s1
InChIKey VBTPMVITGMFESJ-LLVKDONJSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRs5LAiXVoq
Name 3-[(R)-5,5-Dimethyl-4-(2-oxo-ethyl)-cyclopent-1-enyl]-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-12(2)10(4-3-8-13)5-6-11(12)7-9-14/h5,9,11H,3-4,6-7H2,1-2H3/t11-/m1/s1
InChIKey VBTPMVITGMFESJ-LLVKDONJSA-N
Molecular Weight 191.274 g/mol
SMILES C1(C(=CC[C@@]1(CC=O)[H])CCC#N)(C)C
SPLASH splash10-0a4i-3900000000-250e9f24b3bac3b1e287
Source of Spectrum H-83-624-2
Synonyms 3-[(4R)-5,5-dimethyl-4-(2-oxoethyl)-1-cyclopenten-1-yl]propanenitrile 5,5-Dimethyl-4-(2'-oxoethyl)cyclopent-1'-ene-1-propanenitrile
Wiley ID 846918