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4-NITRO-1-[2'-(3''-PHENYLPROP-1''-YNYL)-CYCLOHEX-1'-EN-1'-YL]-PENTAN-1-ONE
SpectraBase Compound ID D7lSF81ndFz
InChI InChI=1S/C20H23NO3/c1-16(21(23)24)14-15-20(22)19-13-6-5-11-18(19)12-7-10-17-8-3-2-4-9-17/h2-4,8-9,16H,5-6,10-11,13-15H2,1H3
InChIKey BJUIYKSHHGNAIT-UHFFFAOYSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BznSC3EVNVU
Name 4-Nitro-1-[2'-(3"-phenylprop-1"-ynyl)cyclohex-1'-en-1'-yl]-pentan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-16(21(23)24)14-15-20(22)19-13-6-5-11-18(19)12-7-10-17-8-3-2-4-9-17/h2-4,8-9,16H,5-6,10-11,13-15H2,1H3
InChIKey BJUIYKSHHGNAIT-UHFFFAOYSA-N
Molecular Weight 325.408 g/mol
SMILES C(N(=O)=O)(CCC(C1=C(C#CCc2ccccc2)CCCC1)=O)C
SPLASH splash10-029l-0490000000-6ea0e9da55896c59c1d6
Source of Spectrum H-2005-2728-31
Synonyms 4-Nitro-1-[2-(3-phenyl-1-propynyl)-1-cyclohexen-1-yl]-1-pentanone 4-Nitro-1-[2-(3-phenylprop-1-ynyl)-1-cyclohexenyl]-1-pentanone
Wiley ID 1563037