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Spiro[4.5]dec-6-ene-1-carboxylic acid, 1-cyano-8-oxo-, methyl ester
SpectraBase Compound ID 47cdwY2zfJ0
InChI InChI=1S/C13H15NO3/c1-17-11(16)13(9-14)6-2-5-12(13)7-3-10(15)4-8-12/h3,7H,2,4-6,8H2,1H3
InChIKey FTUKWQILQSOOKZ-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEv0NeB6Pv5
Name Spiro[4.5]dec-6-ene-1-carboxylic acid, 1-cyano-8-oxo-, methyl ester
Alternate Name(s) 1-Cyano-1-(methoxycarbonyl)spiro[4.5]dec-6-en-8-one methyl 1-cyano-8-oxospiro[4.5]dec-6-ene-1-carboxylate
CAS Registry Number 82358-91-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-17-11(16)13(9-14)6-2-5-12(13)7-3-10(15)4-8-12/h3,7H,2,4-6,8H2,1H3
InChIKey FTUKWQILQSOOKZ-UHFFFAOYSA-N
Molecular Weight 233.267 g/mol
SMILES C1(C2(C=CC(CC2)=O)CCC1)(C(=O)OC)C#N
SPLASH splash10-00di-0920000000-2320cf90baef656c2432
Source of Spectrum KC-1982-495-0
Wiley ID 1234871