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1-(3-Nitrophenyl)-2-[(1R,3S)-2,2,3-trimethylcyclopent-1-yl]ethan-1-one
SpectraBase Compound ID 63tO390be7d
InChI InChI=1S/C16H21NO3/c1-11-7-8-13(16(11,2)3)10-15(18)12-5-4-6-14(9-12)17(19)20/h4-6,9,11,13H,7-8,10H2,1-3H3/t11-,13+/m0/s1
InChIKey OGRMHZBHZVYTII-WCQYABFASA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3DEjnBspD3
Name 1-(3-Nitrophenyl)-2-[(1R,3S)-2,2,3-trimethylcyclopent-1-yl]ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-11-7-8-13(16(11,2)3)10-15(18)12-5-4-6-14(9-12)17(19)20/h4-6,9,11,13H,7-8,10H2,1-3H3/t11-,13+/m0/s1
InChIKey OGRMHZBHZVYTII-WCQYABFASA-N
Literature Reference DOI 10.1002/hlca.200490179
Molecular Weight 275.348 g/mol
SMILES CC1([C@@](CC(=O)c2cc(ccc2)[N+](=O)[O-])(CC[C@@]1(C)[H])[H])C
SPLASH splash10-014i-7390000000-0c6e615b5d225ba3e3ca
Source of Spectrum H-87-1988-16
Synonyms 1-(3-nitrophenyl)-2-((1R,3S)-2,2,3-trimethylcyclopentyl)ethan-1-one
Wiley ID 1785536