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1,1-Dimethylethyl ester of (E)-2-acetyl-7-(dimethylamino)-5-heptenoic acid
SpectraBase Compound ID Fhcy02pEWHX
InChI InChI=1S/C15H27NO3/c1-12(17)13(14(18)19-15(2,3)4)10-8-7-9-11-16(5)6/h7,9,13H,8,10-11H2,1-6H3/b9-7+
InChIKey JHKPOBMTYFKTQL-VQHVLOKHSA-N
Mol Weight 269.38 g/mol
Molecular Formula C15H27NO3
Exact Mass 269.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6R5dOeEA37y
Name 1,1-Dimethylethyl ester of (E)-2-acetyl-7-(dimethylamino)-5-heptenoic acid
Alternate Name(s) tert-Butyl (5E)-2-acetyl-7-(dimethylamino)-5-heptenoate
CAS Registry Number 94518-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H27NO3
InChI InChI=1S/C15H27NO3/c1-12(17)13(14(18)19-15(2,3)4)10-8-7-9-11-16(5)6/h7,9,13H,8,10-11H2,1-6H3/b9-7+
InChIKey JHKPOBMTYFKTQL-VQHVLOKHSA-N
Molecular Weight 269.385 g/mol
SMILES C(C(C(=O)C)CC\C=C\CN(C)C)(OC(C)(C)C)=O
SPLASH splash10-00ks-9140000000-60ef972bb586919dc2f9
Source of Spectrum C-107-2129-0
Wiley ID 1273238