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Methyl 2-amino-4-(nitromethyl)-4H-chromene-3-carboxylate

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Methyl 2-amino-4-(nitromethyl)-4H-chromene-3-carboxylate
SpectraBase Compound ID XY6WqCyIMl
InChI InChI=1S/C12H12N2O5/c1-18-12(15)10-8(6-14(16)17)7-4-2-3-5-9(7)19-11(10)13/h2-5,8H,6,13H2,1H3
InChIKey FSLGZCOLNXHLDG-UHFFFAOYSA-N
Mol Weight 264.24 g/mol
Molecular Formula C12H12N2O5
Exact Mass 264.074621 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HIcs5CXIZeD
Name Methyl 2-amino-4-(nitromethyl)-4H-chromene-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 264.074621489 u
Formula C12H12N2O5
InChI InChI=1S/C12H12N2O5/c1-18-12(15)10-8(6-14(16)17)7-4-2-3-5-9(7)19-11(10)13/h2-5,8H,6,13H2,1H3
InChIKey FSLGZCOLNXHLDG-UHFFFAOYSA-N
Molecular Weight 264.237 g/mol
SMILES C1(=C(C(C=2C=CC=CC2O1)C[N+](=O)[O-])C(=O)OC)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855822