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(2E,4R,5R)-5-Acetoxy-4,6-dimethyl-N-propargylhept-2-enamide
SpectraBase Compound ID Hp2dZdWd5Ty
InChI InChI=1S/C14H21NO3/c1-6-9-15-13(17)8-7-11(4)14(10(2)3)18-12(5)16/h1,7-8,10-11,14H,9H2,2-5H3,(H,15,17)/b8-7+/t11-,14-/m1/s1
InChIKey OXMXLXOJQVYRRL-OZBKYDQSSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LnvpJtZVQ
Name (2E,4R,5R)-5-Acetoxy-4,6-dimethyl-N-propargylhept-2-enamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-6-9-15-13(17)8-7-11(4)14(10(2)3)18-12(5)16/h1,7-8,10-11,14H,9H2,2-5H3,(H,15,17)/b8-7+/t11-,14-/m1/s1
InChIKey OXMXLXOJQVYRRL-OZBKYDQSSA-N
Molecular Weight 251.326 g/mol
SMILES N(C(\C=C\[C@]([C@](OC(=O)C)(C(C)C)[H])(C)[H])=O)CC#C
SPLASH splash10-00ko-9300000000-b7399401368543de6c07
Source of Spectrum SO-0-607-13
Synonyms (1R,2R,3E)-1-isopropyl-2-methyl-5-oxo-5-(2-propynylamino)-3-pentenyl acetate Acetic acid[(E,1R,2R)-1-isopropyl-5-keto-2-methyl-5-(propargylamino)pent-3-enyl]ester Acetic acid[(E,3R,4R)-2,4-dimethyl-7-oxo-7-(prop-2-ynylamino)hept-5-en-3-yl]ester [(E,1R,2R)-1-isopropyl-2-methyl-5-oxo-5-(prop-2-ynylamino)pent-3-enyl]acetate [(E,3R,4R)-2,4-dimethyl-7-oxidanylidene-7-(prop-2-ynylamino)hept-5-en-3-yl]ethanoate [(E,3R,4R)-2,4-dimethyl-7-oxo-7-(prop-2-ynylamino)hept-5-en-3-yl]acetate Acetic acid [(E,3R,4R)-2,4-dimethyl-7-oxo-7-(prop-2-ynylamino)hept-5-en-3-yl] ester [(E,3R,4R)-2,4-dimethyl-7-oxo-7-(prop-2-ynylamino)hept-5-en-3-yl] acetate [(E,1R,2R)-1-isopropyl-2-methyl-5-oxo-5-(prop-2-ynylamino)pent-3-enyl] acetate [(E,3R,4R)-2,4-dimethyl-7-oxidanylidene-7-(prop-2-ynylamino)hept-5-en-3-yl] ethanoate
Wiley ID 875456