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(3-Nitrophenyl) methanol, N-pentyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

(3-Nitrophenyl) methanol, N-pentyl ether
SpectraBase Compound ID qFYQgaiVPS
InChI InChI=1S/C12H17NO3/c1-2-3-4-8-16-10-11-6-5-7-12(9-11)13(14)15/h5-7,9H,2-4,8,10H2,1H3
InChIKey MLJRNALFNDLSOC-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4TIjwhZ6Z9j
Name (3-Nitrophenyl) methanol, N-pentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.120843408 u
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-2-3-4-8-16-10-11-6-5-7-12(9-11)13(14)15/h5-7,9H,2-4,8,10H2,1H3
InChIKey MLJRNALFNDLSOC-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES C1=C(C=CC=C1COCCCCC)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91297