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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 CTjAfvrZvMU
Name Cyclooctanone, 2-(4-hydroxy-2-butenyl)-2-nitro-, (E)-
Alternate Name(s) 2-(4-Hydroxy-2-butenyl)-2-nitrocycloctanone 2-[(2E)-4-hydroxy-2-butenyl]-2-nitrocyclooctanone
CAS Registry Number 109797-00-4
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
Molecular Weight 241.287 g/mol
SMILES OC\C=C\CC1(N(=O)=O)C(=O)CCCCCC1
SPLASH splash10-05nf-9100000000-551da01e401de6199252
Source of Spectrum H-69-1618-4
Wiley ID 1244004