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4-Ethyl-2-nitro-6-pent-4-en-2-yl-phenol

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

4-Ethyl-2-nitro-6-pent-4-en-2-yl-phenol
SpectraBase Compound ID K7f7RCKQmm4
InChI InChI=1S/C13H17NO3/c1-4-6-9(3)11-7-10(5-2)8-12(13(11)15)14(16)17/h4,7-9,15H,1,5-6H2,2-3H3
InChIKey CDTBRMYNBSJELL-UHFFFAOYSA-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 FbScVpXZtxp
Name 4-Ethyl-2-nitro-6-pent-4-en-2-yl-phenol
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/c1-4-6-9(3)11-7-10(5-2)8-12(13(11)15)14(16)17/h4,7-9,15H,1,5-6H2,2-3H3
InChIKey CDTBRMYNBSJELL-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES C1(N(=O)=O)=C(C(C(CC=C)C)=CC(=C1)CC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81219