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2-Bromoethyl (coumarin-3-yl)carbamate

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

2-Bromoethyl (coumarin-3-yl)carbamate
SpectraBase Compound ID L8o8oGLk9cC
InChI InChI=1S/C12H10BrNO4/c13-5-6-17-12(16)14-9-7-8-3-1-2-4-10(8)18-11(9)15/h1-4,7H,5-6H2,(H,14,16)
InChIKey DXRNLZNXYJJNAR-UHFFFAOYSA-N
Mol Weight 312.12 g/mol
Molecular Formula C12H10BrNO4
Exact Mass 310.979321 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9LBaBoVDYSB
Name 2-Bromoethyl (coumarin-3-yl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.979320802 u
Formula C12H10BrNO4
InChI InChI=1S/C12H10BrNO4/c13-5-6-17-12(16)14-9-7-8-3-1-2-4-10(8)18-11(9)15/h1-4,7H,5-6H2,(H,14,16)
InChIKey DXRNLZNXYJJNAR-UHFFFAOYSA-N
Molecular Weight 312.119 g/mol
SMILES C1(OC2=C(C=C1NC(OCCBr)=O)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965288