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2-Cyclohexene-1-acetic acid, 2-nitro-, ethyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-Cyclohexene-1-acetic acid, 2-nitro-, ethyl ester
SpectraBase Compound ID Es4Zr1nLxtP
InChI InChI=1S/C10H15NO4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h6,8H,2-5,7H2,1H3
InChIKey HCDPIVRDQJQNHS-UHFFFAOYSA-N
Mol Weight 213.23 g/mol
Molecular Formula C10H15NO4
Exact Mass 213.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 92hBnM4bPOe
Name 2-Cyclohexene-1-acetic acid, 2-nitro-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.100107963 u
Formula C10H15NO4
InChI InChI=1S/C10H15NO4/c1-2-15-10(12)7-8-5-3-4-6-9(8)11(13)14/h6,8H,2-5,7H2,1H3
InChIKey HCDPIVRDQJQNHS-UHFFFAOYSA-N
Molecular Weight 213.233 g/mol
SMILES C1CC(CC(=O)OCC)C(=CC1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97086