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(E)-(3-Methyl-1-nitrobut-1-en-2-yl)benzene
SpectraBase Compound ID 25X2msSMUad
InChI InChI=1S/C11H13NO2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+
InChIKey ZFTLCQWJPILEGC-DHZHZOJOSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HUptZPD5WPE
Name (E)-(3-Methyl-1-nitrobut-1-en-2-yl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.094628661 u
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-9(2)11(8-12(13)14)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+
InChIKey ZFTLCQWJPILEGC-DHZHZOJOSA-N
Molecular Weight 191.230 g/mol
SMILES C=1(C=CC=CC1)\C(=C\[N+](=O)[O-])C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901336