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Coumarin 314

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

Coumarin 314
SpectraBase Compound ID 5YzCPMJILsq
InChI InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3
InChIKey VMJKUPWQKZFFCX-UHFFFAOYSA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Dq1v1SRPYhn
Name Coumarin 314
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.131408092 u
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-2-22-17(20)14-10-12-9-11-5-3-7-19-8-4-6-13(15(11)19)16(12)23-18(14)21/h9-10H,2-8H2,1H3
InChIKey VMJKUPWQKZFFCX-UHFFFAOYSA-N
Molecular Weight 313.353 g/mol
SMILES C1(=O)OC=2C3=C4C(=CC2C=C1C(OCC)=O)CCCN4CCC3
Spectrum/Structure Validation Score (Raman) 0.977314