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(E)-(+-)-.alpha.-(1-Methoxy-1,3-butadienyl)-2-nitrobenzenemethanol
SpectraBase Compound ID 2YABDUTWCgb
InChI InChI=1S/C12H13NO4/c1-3-6-11(17-2)12(14)9-7-4-5-8-10(9)13(15)16/h3-8,12,14H,1H2,2H3/b11-6+
InChIKey BZFXOIYLEBPGPK-IZZDOVSWSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Ul4SdAwIMP
Name (E)-(+-)-.alpha.-(1-Methoxy-1,3-butadienyl)-2-nitrobenzenemethanol
Alternate Name(s) (2E)-2-methoxy-1-(2-nitrophenyl)-2,4-pentadien-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-3-6-11(17-2)12(14)9-7-4-5-8-10(9)13(15)16/h3-8,12,14H,1H2,2H3/b11-6+
InChIKey BZFXOIYLEBPGPK-IZZDOVSWSA-N
Molecular Weight 235.239 g/mol
SMILES OC(c1c(N(=O)=O)cccc1)\C(=C/C=C)OC
SPLASH splash10-00l2-7900000000-cc8228ac363275bfdd2a
Source of Spectrum C-115-12310-17
Wiley ID 1237021