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Cycloheptanone, 2-(4-hydroxy-2-butenyl)-2-nitro-, (E)-
SpectraBase Compound ID 2BcdiUc0EAj
InChI InChI=1S/C11H17NO4/c13-9-5-4-8-11(12(15)16)7-3-1-2-6-10(11)14/h4-5,13H,1-3,6-9H2/b5-4+
InChIKey JGYPUXTYARQBMV-SNAWJCMRSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1MA6aKzrtx
Name Cycloheptanone, 2-(4-hydroxy-2-butenyl)-2-nitro-, (E)-
Alternate Name(s) 2-(4-Hydroxy-2-butenyl)-2-nitrocycloheptanone 2-[(2E)-4-hydroxy-2-butenyl]-2-nitrocycloheptanone
CAS Registry Number 109796-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c13-9-5-4-8-11(12(15)16)7-3-1-2-6-10(11)14/h4-5,13H,1-3,6-9H2/b5-4+
InChIKey JGYPUXTYARQBMV-SNAWJCMRSA-N
Molecular Weight 227.260 g/mol
SMILES OC\C=C\CC1(N(=O)=O)C(=O)CCCCC1
SPLASH splash10-00kf-9100000000-e77be1f111b27fa3c46c
Source of Spectrum H-69-1617-4
Wiley ID 1228501