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2-(.alpha-Hydroxy-4-nitrobenzyl)-6-isopropyltropone
SpectraBase Compound ID 12BIWRLXIEN
InChI InChI=1S/C17H17NO4/c1-11(2)13-4-3-5-15(16(19)10-13)17(20)12-6-8-14(9-7-12)18(21)22/h3-11,17,20H,1-2H3
InChIKey ZUSNMICJHNBFRT-UHFFFAOYSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kLwTzOXPvQ
Name 2-(.alpha-Hydroxy-4-nitrobenzyl)-6-isopropyltropone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c1-11(2)13-4-3-5-15(16(19)10-13)17(20)12-6-8-14(9-7-12)18(21)22/h3-11,17,20H,1-2H3
InChIKey ZUSNMICJHNBFRT-UHFFFAOYSA-N
Molecular Weight 299.326 g/mol
SMILES OC(C=1C(C=C(C(C)C)C=CC1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0002-3981000000-937b3b1e513dab34c11c
Source of Spectrum AJ-64-3311-31
Synonyms 2-(..alpha.-hydroxy-4-nitrobenzyl)-6-isopropyltropone 2-[hydroxy(4-nitrophenyl)methyl]-6-isopropyl-2,4,6-cycloheptatrien-1-one
Wiley ID 1302044