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1,2-Cyclobutanedicarboxylic acid, 1-cyano-, dimethyl ester, trans-
SpectraBase Compound ID IxiRx0R0X2Y
InChI InChI=1S/C9H11NO4/c1-13-7(11)6-3-4-9(6,5-10)8(12)14-2/h6H,3-4H2,1-2H3
InChIKey GUYYKGJNXQNTDR-UHFFFAOYSA-N
Mol Weight 197.19 g/mol
Molecular Formula C9H11NO4
Exact Mass 197.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GG2xlTzXVPt
Name 1,2-Cyclobutanedicarboxylic acid, 1-cyano-, dimethyl ester, trans-
Alternate Name(s) Dimethyl 1-cyano-1,2-cyclobutanedicarboxylate 1-cyanocyclobutane-1,2-dicarboxylic acid dimethyl ester Dimethyl 1-cyanocyclobutane-1,2-dicarboxylate
CAS Registry Number 54852-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO4
InChI InChI=1S/C9H11NO4/c1-13-7(11)6-3-4-9(6,5-10)8(12)14-2/h6H,3-4H2,1-2H3
InChIKey GUYYKGJNXQNTDR-UHFFFAOYSA-N
Molecular Weight 197.190 g/mol
SMILES COC(=O)C1(C#N)C(C(OC)=O)CC1
SPLASH splash10-0pyi-9100000000-1b473bdc8370a1a1a9af
Source of Spectrum AD-0-212-0
Wiley ID 22659