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(3aR*,8bR*)-8-Acetyl-3a,8b-dihydrofuro-7-hydroxyfuro[3,2-b]-benzofuran-2(3H)-one
SpectraBase Compound ID DXquNdadgPJ
InChI InChI=1S/C12H10O5/c1-5(13)10-6(14)2-3-7-11(10)12-8(16-7)4-9(15)17-12/h2-3,8,12,14H,4H2,1H3/t8-,12+/m1/s1
InChIKey CETOKDWEQUZUTO-PELKAZGASA-N
Mol Weight 234.21 g/mol
Molecular Formula C12H10O5
Exact Mass 234.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kFmYEunU6y
Name (3aR*,8bR*)-8-Acetyl-3a,8b-dihydrofuro-7-hydroxyfuro[3,2-b]-benzofuran-2(3H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O5
InChI InChI=1S/C12H10O5/c1-5(13)10-6(14)2-3-7-11(10)12-8(16-7)4-9(15)17-12/h2-3,8,12,14H,4H2,1H3/t8-,12+/m1/s1
InChIKey CETOKDWEQUZUTO-PELKAZGASA-N
Instrument Name VG 7070
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.106
Molecular Weight 234.207 g/mol
Optical Rotation [a]D20 = -55.6 (c = 0.97, CDCl3)
Quality 301
SMILES OC1=CC=C2C(=C1C(=O)C)[C@@]1([C@](O2)(CC(O1)=O)[H])[H]
SPLASH splash10-0159-1190000000-0f3333d28a7ca9967527
Source of Spectrum ARK-2003-54-3 (DOI: 10.3998/ark.5550190.0004.106)
Wiley ID 1899655