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(3R,4R)-4-Nitrohept-1-en-3-yl benzene

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

(3R,4R)-4-Nitrohept-1-en-3-yl benzene
SpectraBase Compound ID AiYqi1KPsvu
InChI InChI=1S/C13H17NO2/c1-3-8-13(14(15)16)12(4-2)11-9-6-5-7-10-11/h4-7,9-10,12-13H,2-3,8H2,1H3/t12-,13-/m1/s1
InChIKey OVTZZBIIXWZLKT-CHWSQXEVSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4O1mZIdxTRu
Name (3R,4R)-4-Nitrohept-1-en-3-yl benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-3-8-13(14(15)16)12(4-2)11-9-6-5-7-10-11/h4-7,9-10,12-13H,2-3,8H2,1H3/t12-,13-/m1/s1
InChIKey OVTZZBIIXWZLKT-CHWSQXEVSA-N
Molecular Weight 219.284 g/mol
SMILES C=1C=C(C=CC1)[C@@](C=C)([C@]([N+](=O)[O-])(CCC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943357