For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Butanoic acid, 3-oxo-, 1-cyano-1-methylethyl ester
SpectraBase Compound ID DRkwDeR4dW5
InChI InChI=1S/C8H11NO3/c1-6(10)4-7(11)12-8(2,3)5-9/h4H2,1-3H3
InChIKey LNHUENLSQORAAB-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C8H11NO3
Exact Mass 169.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H1HwOvsxshj
Name Butanoic acid, 3-oxo-, 1-cyano-1-methylethyl ester
CAS Registry Number 99563-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO3
InChI InChI=1S/C8H11NO3/c1-6(10)4-7(11)12-8(2,3)5-9/h4H2,1-3H3
InChIKey LNHUENLSQORAAB-UHFFFAOYSA-N
Molecular Weight 169.180 g/mol
SMILES C(CC(=O)C)(OC(C#N)(C)C)=O
SPLASH splash10-006x-9000000000-0cffd22ae2c7fa1b59c1
Source of Spectrum AJ-60-2145-7
Synonyms (1-cyano-1-methyl-ethyl) 3-oxobutanoate 2-cyanopropan-2-yl 3-oxidanylidenebutanoate 2-cyanopropan-2-yl 3-oxobutanoate 3-ketobutyric acid (1-cyano-1-methyl-ethyl) ester 3-Oxobutanoic acid 2-cyanopropan-2-yl ester
Wiley ID 1165717