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Cyanoacetic acid, tert-butyl ester
SpectraBase Compound ID 6kmo9c8ezMR
InChI InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChIKey BFNYNEMRWHFIMR-UHFFFAOYSA-N
Mol Weight 141.17 g/mol
Molecular Formula C7H11NO2
Exact Mass 141.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6FKvyHifxw
Name Acetic acid, cyano-, 1,1-dimethylethyl ester
CAS Registry Number 1116-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO2
InChI InChI=1S/C7H11NO2/c1-7(2,3)10-6(9)4-5-8/h4H2,1-3H3
InChIKey BFNYNEMRWHFIMR-UHFFFAOYSA-N
Molecular Weight 141.170 g/mol
SMILES CC(OC(=O)CC#N)(C)C
SPLASH splash10-0a4i-9000000000-db9c9b106ba70120231c
Source of Spectrum W5-5702-0-0
Synonyms 2-cyanoacetic acid tert-butyl ester Acetic acid, cyano-, tert-butyl ester NCCH2C(O)OC(CH3)3 tert-Butyl 2-cyanoacetate tert-Butyl 2-cyanoethanoate tert-Butyl cyanoacetate EINECS 214-243-7 NSC 1072
Wiley ID 1140168