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(2R,1'S)-2-(2'-Nitro-2-cyclohexenyl)pentane-3-one
SpectraBase Compound ID 723jVhmjJTs
InChI InChI=1S/C11H17NO3/c1-3-11(13)8(2)9-6-4-5-7-10(9)12(14)15/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKey RQERBYSDLKYDGL-BDAKNGLRSA-N
Mol Weight 211.26 g/mol
Molecular Formula C11H17NO3
Exact Mass 211.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MFTEPnSwAr
Name (2R,1'S)-2-(2'-Nitro-2-cyclohexenyl)pentane-3-one
CAS Registry Number 129967-88-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17NO3
InChI InChI=1S/C11H17NO3/c1-3-11(13)8(2)9-6-4-5-7-10(9)12(14)15/h7-9H,3-6H2,1-2H3/t8-,9+/m1/s1
InChIKey RQERBYSDLKYDGL-BDAKNGLRSA-N
Molecular Weight 211.261 g/mol
SMILES C=1(N(=O)=O)[C@]([C@](C(=O)CC)(C)[H])(CCCC1)[H]
SPLASH splash10-0a4i-9100000000-3feaa1458b907ee9716c
Source of Spectrum C-112-7637-30
Synonyms (2R)-2-[(1S)-2-nitro-2-cyclohexen-1-yl]-3-pentanone
Wiley ID 1210387