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(3-Nitrophenyl) methanol, 3-methylbutyl ether

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(3-Nitrophenyl) methanol, 3-methylbutyl ether
SpectraBase Compound ID 6mrcILZASX2
InChI InChI=1S/C12H17NO3/c1-10(2)6-7-16-9-11-4-3-5-12(8-11)13(14)15/h3-5,8,10H,6-7,9H2,1-2H3
InChIKey RUNUPAYXCRHBDZ-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 7c8YcakeRck
Name (3-Nitrophenyl) methanol, 3-methylbutyl 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/c1-10(2)6-7-16-9-11-4-3-5-12(8-11)13(14)15/h3-5,8,10H,6-7,9H2,1-2H3
InChIKey RUNUPAYXCRHBDZ-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES C1=C(C=CC=C1COCCC(C)C)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897661