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Isopropyl (coumarin-3-yl)carbamate

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

Isopropyl (coumarin-3-yl)carbamate
SpectraBase Compound ID 8nvGGuRvvQu
InChI InChI=1S/C13H13NO4/c1-8(2)17-13(16)14-10-7-9-5-3-4-6-11(9)18-12(10)15/h3-8H,1-2H3,(H,14,16)
InChIKey BDMJDPCZOKJISW-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FiFr9Dez9nO
Name Isopropyl (coumarin-3-yl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.084457899 u
Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-8(2)17-13(16)14-10-7-9-5-3-4-6-11(9)18-12(10)15/h3-8H,1-2H3,(H,14,16)
InChIKey BDMJDPCZOKJISW-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES C1(OC2=C(C=C1NC(OC(C)C)=O)C=CC=C2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917602