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4-Nitrobenzoic acid, 1-methyl-1-vinyl-pent-4-enyl ester

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

4-Nitrobenzoic acid, 1-methyl-1-vinyl-pent-4-enyl ester
SpectraBase Compound ID C5MphNMhN1w
InChI InChI=1S/C15H17NO4/c1-4-6-11-15(3,5-2)20-14(17)12-7-9-13(10-8-12)16(18)19/h4-5,7-10H,1-2,6,11H2,3H3
InChIKey JVAIOJLZWCZYQR-UHFFFAOYSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LOX6zH7kuP
Name 4-Nitrobenzoic acid, 1-methyl-1-vinyl-pent-4-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.115758027 u
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c1-4-6-11-15(3,5-2)20-14(17)12-7-9-13(10-8-12)16(18)19/h4-5,7-10H,1-2,6,11H2,3H3
InChIKey JVAIOJLZWCZYQR-UHFFFAOYSA-N
SMILES C1(N(=O)=O)=CC=C(C(=O)OC(C)(CCC=C)C=C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902078