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2-(Cinnamyloxy)-1-nitrobutane

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

2-(Cinnamyloxy)-1-nitrobutane
SpectraBase Compound ID HUIVGgtnDSF
InChI InChI=1S/C13H17NO3/c1-2-13(11-14(15)16)17-10-6-9-12-7-4-3-5-8-12/h3-9,13H,2,10-11H2,1H3/b9-6+
InChIKey BHGUAQWQINEWFA-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 94Dpicxm90f
Name 2-(Cinnamyloxy)-1-nitrobutane
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/c1-2-13(11-14(15)16)17-10-6-9-12-7-4-3-5-8-12/h3-9,13H,2,10-11H2,1H3/b9-6+
InChIKey BHGUAQWQINEWFA-RMKNXTFCSA-N
Molecular Weight 235.283 g/mol
SMILES C(N(=O)=O)C(OC\C=C\C=1C=CC=CC1)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.940336