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4,7-dihydroxy-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
SpectraBase Compound ID 8B3jZrc7g37
InChI InChI=1S/C8H12O4/c9-5-1-2-6(10)7-4(5)3-12-8(7)11/h4-7,9-10H,1-3H2
InChIKey GZFFFMYJURFCNK-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14B6bD2aBJh
Name 4,7-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CAS Registry Number 138540-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-5-1-2-6(10)7-4(5)3-12-8(7)11/h4-7,9-10H,1-3H2
InChIKey GZFFFMYJURFCNK-UHFFFAOYSA-N
Molecular Weight 172.180 g/mol
SMILES OC1C2C(C(CC1)O)C(OC2)=O
SPLASH splash10-004i-0900000000-fa7f3ff06992123700e5
Source of Spectrum U-1992-386-8
Synonyms 4,7-Dihydroxy-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one 4,7-Dihydroxy-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one
Wiley ID 763973