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4-Nitro-5-(3,4-methylenedioxyphenyl)cyclohexene

View entire compound with spectra: 1 FTIR

4-Nitro-5-(3,4-methylenedioxyphenyl)cyclohexene
SpectraBase Compound ID 4AGYKYR063H
InChI InChI=1S/C13H13NO4/c15-14(16)11-4-2-1-3-10(11)9-5-6-12-13(7-9)18-8-17-12/h1-2,5-7,10-11H,3-4,8H2
InChIKey WFPHZRSWFPQSHM-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C2TW5ia4usB
Name 4-Nitro-5-(3,4-methylenedioxyphenyl)cyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.084457899 u
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c15-14(16)11-4-2-1-3-10(11)9-5-6-12-13(7-9)18-8-17-12/h1-2,5-7,10-11H,3-4,8H2
InChIKey WFPHZRSWFPQSHM-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES C12=C(C=C(C=C2)C2C(CC=CC2)N(=O)=O)OCO1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836414