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Cyclooctanone, 2-(4-hydroxy-2-butenyl)-2-nitro-, (E)-
SpectraBase Compound ID 7DLMIGXBFpG
InChI InChI=1S/C12H19NO4/c14-10-6-5-9-12(13(16)17)8-4-2-1-3-7-11(12)15/h5-6,14H,1-4,7-10H2/b6-5+
InChIKey WYEXFWCXJMYJPU-AATRIKPKSA-N
Mol Weight 241.29 g/mol
Molecular Formula C12H19NO4
Exact Mass 241.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iRkojYf7XH
Name 2-(4-Hydroxy-2-butenyl)-2-nitrocyclooctanone
Alternate Name(s) (E)-2-(4-hydroxybut-2-en-1-yl)-2-nitrocyclooctan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO4
InChI InChI=1S/C12H19NO4/c14-10-6-5-9-12(13(16)17)8-4-2-1-3-7-11(12)15/h5-6,14H,1-4,7-10H2/b6-5+
InChIKey WYEXFWCXJMYJPU-AATRIKPKSA-N
Literature Reference DOI 10.1002/hlca.19860690715
Molecular Weight 241.287 g/mol
SMILES OC\C=C\CC1(C(CCCCCC1)=O)[N+](=O)[O-]
SPLASH splash10-0ku6-9200000000-6012eda3b40f7ec68862
Source of Spectrum H-69-1617-4c
Wiley ID 1794926