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4,6-DIHYDROXY-7-METHYL-1(3H)-ISOBENZOFURANONE

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4,6-DIHYDROXY-7-METHYL-1(3H)-ISOBENZOFURANONE
SpectraBase Compound ID HLDtyTGFkb1
InChI InChI=1S/C9H8O4/c1-4-6(10)2-7(11)5-3-13-9(12)8(4)5/h2,10-11H,3H2,1H3
InChIKey KAYBFHNMXLIIGC-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5W6vfZVo88
Name 4,6-DIHYDROXY-7-METHYL-1(3H)-ISOBENZOFURANONE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-4-6(10)2-7(11)5-3-13-9(12)8(4)5/h2,10-11H,3H2,1H3
InChIKey KAYBFHNMXLIIGC-UHFFFAOYSA-N
Literature Reference Author T.KAMIYAMA,N.SHIMMA,T.OHTSUKA,N.NAKAYAMA,Y.ITEZONO,N.NAKADA, J.WATANABE,K.YOKOSE
Literature Reference Citation J.ANTIBIOTICS,47,37(1994)
Literature Reference DOI 10.7164/antibiotics.47.37
Molecular Weight 180.160 g/mol
Sample ID 53454
Solvent CD3OD