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3-Chloro-2-nitrobenzyl alcohol, 2-methylpropyl ether

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3-Chloro-2-nitrobenzyl alcohol, 2-methylpropyl ether
SpectraBase Compound ID 5vgU6rW1MtN
InChI InChI=1S/C11H14ClNO3/c1-8(2)6-16-7-9-4-3-5-10(12)11(9)13(14)15/h3-5,8H,6-7H2,1-2H3
InChIKey YXQJGSWEMLLIAQ-UHFFFAOYSA-N
Mol Weight 243.69 g/mol
Molecular Formula C11H14ClNO3
Exact Mass 243.066221 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID tzcLfmGqO
Name 3-Chloro-2-nitrobenzyl alcohol, 2-methylpropyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.066221012 u
Formula C11H14ClNO3
InChI InChI=1S/C11H14ClNO3/c1-8(2)6-16-7-9-4-3-5-10(12)11(9)13(14)15/h3-5,8H,6-7H2,1-2H3
InChIKey YXQJGSWEMLLIAQ-UHFFFAOYSA-N
Molecular Weight 243.690 g/mol
SMILES C1(=C(C=CC=C1COCC(C)C)Cl)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862175