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(E)-4,4-dimethyl-1-(4-nitrophenyl)-1-penten-3-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-4,4-dimethyl-1-(4-nitrophenyl)-1-penten-3-ol
SpectraBase Compound ID IxNvUuH00nb
InChI InChI=1S/C13H17NO3/c1-13(2,3)12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-9,12,15H,1-3H3/b9-6+
InChIKey UBYPYFBYVCHAAM-RMKNXTFCSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BXYwizTwU32
Name (E)-4,4-Dimethyl-1-(4-nitrophenyl)-1-penten-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.120843408 u
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-13(2,3)12(15)9-6-10-4-7-11(8-5-10)14(16)17/h4-9,12,15H,1-3H3/b9-6+
InChIKey UBYPYFBYVCHAAM-RMKNXTFCSA-N
Molecular Weight 235.283 g/mol
SMILES C1(N(=O)=O)=CC=C(\C=C\C(C(C)(C)C)O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953007