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Methyl 4-isocyanatobenzoate

View entire compound with spectra: 3 NMR

Methyl 4-isocyanatobenzoate
SpectraBase Compound ID 1d2uNdCGsQe
InChI InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
InChIKey FQDDBYGPHUUTRN-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C9H7NO3
Exact Mass 177.042593 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HUwCUneJskL
Name Methyl 4-isocyanatobenzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 511935
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3
InChI InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,1H3
InChIKey FQDDBYGPHUUTRN-UHFFFAOYSA-N
Molecular Weight 177.159 g/mol
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014981