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1,3-Cyclohexadiene, 1-ethyl-5,6-dimethyl-4-nitro-, trans-(.+-.)-
SpectraBase Compound ID 261LsLlEkwu
InChI InChI=1S/C10H15NO2/c1-4-9-5-6-10(11(12)13)8(3)7(9)2/h5-8H,4H2,1-3H3/t7-,8-/m1/s1
InChIKey CTUAMCSEBLZJBS-HTQZYQBOSA-N
Mol Weight 181.23 g/mol
Molecular Formula C10H15NO2
Exact Mass 181.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQiwGrUToQZ
Name 1,3-Cyclohexadiene, 1-ethyl-5,6-dimethyl-4-nitro-, trans-(.+-.)-
CAS Registry Number 129967-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO2
InChI InChI=1S/C10H15NO2/c1-4-9-5-6-10(11(12)13)8(3)7(9)2/h5-8H,4H2,1-3H3/t7-,8-/m1/s1
InChIKey CTUAMCSEBLZJBS-HTQZYQBOSA-N
Molecular Weight 181.235 g/mol
SMILES C1(N(=O)=O)=CC=C([C@@]([C@]1(C)[H])(C)[H])CC
SPLASH splash10-0a4i-3900000000-bf8d77e1d786eb294a0b
Source of Spectrum C-112-7638-31
Synonyms (5R,6R)-1-ethyl-5,6-dimethyl-4-nitro-1,3-cyclohexadiene 5,6-Dimethyl-4-ethyl-1-nitero-1,3-cyclohexadiene
Wiley ID 1177522