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1-Propanol, 3-chloro-, phenylcarbamate

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

1-Propanol, 3-chloro-, phenylcarbamate
SpectraBase Compound ID K8XYlmxY1Wb
InChI InChI=1S/C10H12ClNO2/c11-7-4-8-14-10(13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey PWYHRNYXPUTOMA-UHFFFAOYSA-N
Mol Weight 213.66 g/mol
Molecular Formula C10H12ClNO2
Exact Mass 213.055656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30ZKQqQHdRG
Name 1-Propanol, 3-chloro-, phenylcarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 213.055656328 u
Formula C10H12ClNO2
InChI InChI=1S/C10H12ClNO2/c11-7-4-8-14-10(13)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)
InChIKey PWYHRNYXPUTOMA-UHFFFAOYSA-N
Molecular Weight 213.664 g/mol
SMILES C1=CC=C(C=C1)NC(OCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924373