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1-(3-Methyl butoxy)-4-[2-nitroethenyl]benzene

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1-(3-Methyl butoxy)-4-[2-nitroethenyl]benzene
SpectraBase Compound ID 9gk2qGgm7TF
InChI InChI=1S/C13H17NO3/c1-11(2)8-10-17-13-5-3-12(4-6-13)7-9-14(15)16/h3-7,9,11H,8,10H2,1-2H3/b9-7+
InChIKey GOPLDGTYUXGBCU-VQHVLOKHSA-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 8XHCJ8pwNsA
Name 1-(3-Methyl butoxy)-4-[2-nitroethenyl]benzene
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/c1-11(2)8-10-17-13-5-3-12(4-6-13)7-9-14(15)16/h3-7,9,11H,8,10H2,1-2H3/b9-7+
InChIKey GOPLDGTYUXGBCU-VQHVLOKHSA-N
Molecular Weight 235.283 g/mol
SMILES C(CC(C)C)OC1=CC=C(\C=C\N(=O)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920809