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3-Chloro-2-nitrobenzyl alcohol, N-propyl ether

View entire compound with spectra: 1 FTIR

3-Chloro-2-nitrobenzyl alcohol, N-propyl ether
SpectraBase Compound ID LFsBvH2RCvT
InChI InChI=1S/C10H12ClNO3/c1-2-6-15-7-8-4-3-5-9(11)10(8)12(13)14/h3-5H,2,6-7H2,1H3
InChIKey BLCVCNFPKBPNKP-UHFFFAOYSA-N
Mol Weight 229.66 g/mol
Molecular Formula C10H12ClNO3
Exact Mass 229.050571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5PKhZ7nucaT
Name 3-Chloro-2-nitrobenzyl alcohol, N-propyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.050570947 u
Formula C10H12ClNO3
InChI InChI=1S/C10H12ClNO3/c1-2-6-15-7-8-4-3-5-9(11)10(8)12(13)14/h3-5H,2,6-7H2,1H3
InChIKey BLCVCNFPKBPNKP-UHFFFAOYSA-N
Molecular Weight 229.663 g/mol
SMILES C1(=C(C=CC=C1COCCC)Cl)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817464