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Patulin

View entire compound with spectra: 5 NMR, 1 FTIR, and 6 MS (GC)

Patulin
SpectraBase Compound ID 5aDZT6fYdKY
InChI InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
InChIKey ZRWPUFFVAOMMNM-UHFFFAOYSA-N
Mol Weight 154.12 g/mol
Molecular Formula C7H6O4
Exact Mass 154.026609 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CBexUEDzcCQ
Name Patulin
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 859583
Copyright Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O4
InChI InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2
InChIKey ZRWPUFFVAOMMNM-UHFFFAOYSA-N
Molecular Weight 154.121 g/mol
Observed nucleus 13C
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_015137