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2-Methoxy-3-(1-cyclohexyl-2-nitro)ethyl-1,4-naphthoquinone
SpectraBase Compound ID LgmXunNy8BK
InChI InChI=1S/C19H21NO5/c1-25-19-16(15(11-20(23)24)12-7-3-2-4-8-12)17(21)13-9-5-6-10-14(13)18(19)22/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3
InChIKey BYGYJNPHZHAXQD-UHFFFAOYSA-N
Mol Weight 343.38 g/mol
Molecular Formula C19H21NO5
Exact Mass 343.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZjGCai2H2M
Name 2-Methoxy-3-(1-cyclohexyl-2-nitro)ethyl-1,4-naphthoquinone
Alternate Name(s) 2-(1-cyclohexyl-2-nitroethyl)-3-methoxynaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO5
InChI InChI=1S/C19H21NO5/c1-25-19-16(15(11-20(23)24)12-7-3-2-4-8-12)17(21)13-9-5-6-10-14(13)18(19)22/h5-6,9-10,12,15H,2-4,7-8,11H2,1H3
InChIKey BYGYJNPHZHAXQD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol800945e
Molecular Weight 343.379 g/mol
SMILES c1ccc2C(C(C(C3CCCCC3)C[N+](=O)[O-])=C(OC)C(=O)c2c1)=O
SPLASH splash10-0apl-9451000000-eac22250b482b4434383
Source of Spectrum A1-10-2817/SMS11-arb2
Wiley ID 1759595