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(3E,5E,7S)-7-(tert-Butyloxycarbonylamino)-3,5-octadien-2-one
SpectraBase Compound ID 8zhFmtXdDVg
InChI InChI=1S/C13H21NO3/c1-10(8-6-7-9-11(2)15)14-12(16)17-13(3,4)5/h6-10H,1-5H3,(H,14,16)/b8-6+,9-7+/t10-/m0/s1
InChIKey MBTJULRYJKXEJA-LPCOJOSNSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PKg3A4EAF6
Name (3E,5E,7S)-7-(tert-Butyloxycarbonylamino)-3,5-octadien-2-one
Alternate Name(s) tert-Butyl (1S,2E,4E)-1-methyl-6-oxo-2,4-heptadienylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-10(8-6-7-9-11(2)15)14-12(16)17-13(3,4)5/h6-10H,1-5H3,(H,14,16)/b8-6+,9-7+/t10-/m0/s1
InChIKey MBTJULRYJKXEJA-LPCOJOSNSA-N
Molecular Weight 239.315 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C=C\C=C\C(=O)C)(C)[H]
SPLASH splash10-0a4l-9100000000-dc9c4f0eec7eee449d4b
Source of Spectrum F-52-10899-13
Wiley ID 798066