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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16Cppw2R2e
Name 4H-Furo[3,2-c]pyran-2(6H)-one, 4-hydroxy-
Alternate Name(s) Patullin (2,4-Dihydroxy-2H-pyran-3(6H)-ylidene)acetic acid, 3,4-lactone 2,4-Dihydroxy-2H-pyran-.delta.-3(6H),.alpha.-acetic acid, 3,4-lactone 2H-pyran-delta(sup 3(6H),alpha)-acetic acid, 2,4-dihydroxy-, 3,4-lactone 4,6-Dihydro-4-hydroxy-2H-furo(3,2-c)pyran-2-one 4-Oxidanyl-4,6-dihydrofuro[3,2-c]pyran-2-one 4-Hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one 4H-furo(3,3-c)pyran-2(6H)-one, 4-hydroxy- Acetic acid, (2,4-dihydroxy-2H-pyran-3(6H)-ylidene)-, 3,4-lactone Clairformin Clavacin Clavatin Claviform Claviformin Expansin Expansine Gigantin Leucopin Mycoin Mycoin C Mycoin C3 Mycoine C3 Mycosin Patulin Patuline Penatin Penicidin Tercinin Terinin BRN 0149675 CCRIS 4940 EINECS 205-735-2 HSDB 3522 NSC 32951 NSC 8120 SCH-351633
CAS Registry Number 149-29-1
Copyright Copyright © 2020-2024 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
SMILES OC1C=2C(=CCO1)OC(=O)C2
SPLASH splash10-1159-9500000000-464c8def1d106175278a
Wiley ID 1508298