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Methyl ester of 1-cyano-8-oxobicyclo[4.3.1]decane-7-carboxylic acid
SpectraBase Compound ID 9zGiqLD8Ddx
InChI InChI=1S/C13H17NO3/c1-17-12(16)11-9-4-2-3-5-13(6-9,8-14)7-10(11)15/h9,11H,2-7H2,1H3
InChIKey NCSRGCNGAXXIJN-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzsdC6wTGka
Name Methyl ester of 1-cyano-8-oxobicyclo[4.3.1]decane-7-carboxylic acid
Alternate Name(s) Methyl 1-cyano-8-oxobicyclo[4.3.1]decane-7-carboxylate
CAS Registry Number 70562-52-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-17-12(16)11-9-4-2-3-5-13(6-9,8-14)7-10(11)15/h9,11H,2-7H2,1H3
InChIKey NCSRGCNGAXXIJN-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES C1(C(CC2(CC1CCCC2)C#N)=O)C(=O)OC
SPLASH splash10-016s-1900000000-6a6f599ce3237941a48b
Source of Spectrum J-44-2822-0
Wiley ID 1237099