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Chloromethyl (coumarin-3-yl)carbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Chloromethyl (coumarin-3-yl)carbamate
SpectraBase Compound ID Hcok4hFyNqQ
InChI InChI=1S/C11H8ClNO4/c12-6-16-11(15)13-8-5-7-3-1-2-4-9(7)17-10(8)14/h1-5H,6H2,(H,13,15)
InChIKey LBEICYFVVOZUGQ-UHFFFAOYSA-N
Mol Weight 253.64 g/mol
Molecular Formula C11H8ClNO4
Exact Mass 253.014185 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9iLGaJGGPC1
Name Chloromethyl (coumarin-3-yl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.014185438 u
Formula C11H8ClNO4
InChI InChI=1S/C11H8ClNO4/c12-6-16-11(15)13-8-5-7-3-1-2-4-9(7)17-10(8)14/h1-5H,6H2,(H,13,15)
InChIKey LBEICYFVVOZUGQ-UHFFFAOYSA-N
Molecular Weight 253.641 g/mol
SMILES C1(OC2=C(C=C1NC(OCCl)=O)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976699