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2-(2-amino-4,4-dimethyl-6-oxo-1-cyclohexenyl)acetic acid ethyl ester
SpectraBase Compound ID 74McxMMdkq7
InChI InChI=1S/C12H19NO3/c1-4-16-11(15)5-8-9(13)6-12(2,3)7-10(8)14/h4-7,13H2,1-3H3
InChIKey ZALBPZNZTSGMIU-UHFFFAOYSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1P0bDbq2f5Q
Name 2-(2-amino-4,4-dimethyl-6-oxo-1-cyclohexenyl)acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-4-16-11(15)5-8-9(13)6-12(2,3)7-10(8)14/h4-7,13H2,1-3H3
InChIKey ZALBPZNZTSGMIU-UHFFFAOYSA-N
Molecular Weight 225.288 g/mol
SMILES NC1=C(C(CC(C)(C)C1)=O)CC(=O)OCC
SPLASH splash10-004i-3910000000-e61734c6683a3c34854c
Source of Spectrum Y-32-1357-7
Synonyms 2-(2-amino-6-keto-4,4-dimethyl-cyclohexen-1-yl)acetic acid ethyl ester Ethyl 2-(2-amino-4,4-dimethyl-6-oxo-cyclohexen-1-yl)acetate Ethyl 2-(2-azanyl-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl)ethanoate
Wiley ID 1226418