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4,4-Diethyl-6-nitrochroman-2-one
SpectraBase Compound ID 36U9bRyVLT
InChI InChI=1S/C13H15NO4/c1-3-13(4-2)8-12(15)18-11-6-5-9(14(16)17)7-10(11)13/h5-7H,3-4,8H2,1-2H3
InChIKey ACUCHFPMWCKXOA-UHFFFAOYSA-N
Mol Weight 249.27 g/mol
Molecular Formula C13H15NO4
Exact Mass 249.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVOc3yIoJq9
Name 4,4-Diethyl-6-nitrochroman-2-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO4
InChI InChI=1S/C13H15NO4/c1-3-13(4-2)8-12(15)18-11-6-5-9(14(16)17)7-10(11)13/h5-7H,3-4,8H2,1-2H3
InChIKey ACUCHFPMWCKXOA-UHFFFAOYSA-N
Instrument Name Waters GCT Premier
Ionization Type EI Positive ion
Literature Reference DOI 10.1021/acs.joc.1c01887
Molecular Weight 249.266 g/mol
SMILES C(C)C1(CC(Oc2c1cc(cc2)[N+](=O)[O-])=O)CC
SPLASH splash10-00di-1890000000-b22d930c5c45b58ecbb2
Source of Spectrum JOC-87-SM30-8c
Wiley ID 1884179