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6-Oxo-2(E)-hepten-1-ol nitrate
SpectraBase Compound ID Lgom2dCVbLx
InChI InChI=1S/C7H11NO4/c1-7(9)5-3-2-4-6-12-8(10)11/h2,4H,3,5-6H2,1H3/b4-2+
InChIKey WHBCFHSJVRBODX-DUXPYHPUSA-N
Mol Weight 173.17 g/mol
Molecular Formula C7H11NO4
Exact Mass 173.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfkykwNsiHK
Name 6-Oxo-2(E)-hepten-1-ol nitrate
CAS Registry Number 100431-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO4
InChI InChI=1S/C7H11NO4/c1-7(9)5-3-2-4-6-12-8(10)11/h2,4H,3,5-6H2,1H3/b4-2+
InChIKey WHBCFHSJVRBODX-DUXPYHPUSA-N
Molecular Weight 173.168 g/mol
SMILES C(ON(=O)=O)\C=C\CCC(=O)C
SPLASH splash10-0006-9100000000-edf384ccdc2dee96fdad
Source of Spectrum J-51-1648-8
Synonyms (2E)-6-oxo-2-heptenyl nitrate
Wiley ID 1169631