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5,6-Dihydroxy-4,7-methano(perhydro)-isobenzofuranone

View entire compound with spectra: 2 MS (GC)

5,6-Dihydroxy-4,7-methano(perhydro)-isobenzofuranone
SpectraBase Compound ID 2URIHGxEgvi
InChI InChI=1S/C9H12O4/c10-7-3-1-4(8(7)11)6-5(3)2-13-9(6)12/h3-8,10-11H,1-2H2/t3-,4+,5-,6+,7-,8+/m1/s1
InChIKey INSPFFCMFKEJPI-VOUCJTRVSA-N
Mol Weight 184.19 g/mol
Molecular Formula C9H12O4
Exact Mass 184.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLFD6cgseYL
Name 5,6-Dihydroxy-4,7-methano(perhydro)-isobenzofuranone
Alternate Name(s) (4SR)-5,6-Dihydroxy-4,7-methano(perhydro)-isobenzofuranone (4RS)-5,6-Dihydroxy-4,7-methano(perhydro)-isobenzofuranone 8,9-Dihydroxy-4-oxatricyclo[5.2.1.0(2,6)]decan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O4
InChI InChI=1S/C9H12O4/c10-7-3-1-4(8(7)11)6-5(3)2-13-9(6)12/h3-8,10-11H,1-2H2/t3-,4+,5-,6+,7-,8+/m1/s1
InChIKey INSPFFCMFKEJPI-VOUCJTRVSA-N
Molecular Weight 184.191 g/mol
SMILES O[C@]1([C@]([C@@]2([C@]3([C@@]([C@]1(C2)[H])(COC3=O)[H])[H])[H])(O)[H])[H]
SPLASH splash10-014i-0900000000-8c06437df62731e6c0e4
Source of Spectrum D8-325-583-3
Wiley ID 1514502