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(1R,2R)-1-Methanol-2-acetonitrile-4-cyclohexene acetate
SpectraBase Compound ID 8ZPJzTXYrSc
InChI InChI=1S/C11H15NO2/c1-14-11(13)8-10-5-3-2-4-9(10)6-7-12/h2-3,9-10H,4-6,8H2,1H3/t9-,10+/m1/s1
InChIKey AXADZSHLSULXJV-ZJUUUORDSA-N
Mol Weight 193.25 g/mol
Molecular Formula C11H15NO2
Exact Mass 193.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DRTxFev7BM5
Name (1R,2R)-1-Methanol-2-acetonitrile-4-cyclohexene acetate
Alternate Name(s) ((1S,6R)-6-Cyanomethyl-cyclohex-3-enyl)-acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO2
InChI InChI=1S/C11H15NO2/c1-14-11(13)8-10-5-3-2-4-9(10)6-7-12/h2-3,9-10H,4-6,8H2,1H3/t9-,10+/m1/s1
InChIKey AXADZSHLSULXJV-ZJUUUORDSA-N
Molecular Weight 193.246 g/mol
SMILES C(#N)C[C@@]1([C@](CC(=O)OC)(CC=CC1)[H])[H]
SPLASH splash10-000x-9500000000-585eaa4e970f46b2374f
Source of Spectrum QC-1-798-11
Wiley ID 882876