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(3aS,7aR)-3a,4,7,7a-Tetrahydro-3H-isobenzofuran-1-one
SpectraBase Compound ID 6y7G8lPRZPG
InChI InChI=1S/C8H10O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-2,6-7H,3-5H2/t6-,7-/m1/s1
InChIKey AOPUFOXDCYPIBN-RNFRBKRXSA-N
Mol Weight 138.17 g/mol
Molecular Formula C8H10O2
Exact Mass 138.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoWApgxHKix
Name (3aS,7aR)-3a,4,7,7a-Tetrahydro-3H-isobenzofuran-1-one
CAS Registry Number 2744-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O2
InChI InChI=1S/C8H10O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-2,6-7H,3-5H2/t6-,7-/m1/s1
InChIKey AOPUFOXDCYPIBN-RNFRBKRXSA-N
Molecular Weight 138.166 g/mol
SMILES C1(OC[C@@]2([C@]1(CC=CC2)[H])[H])=O
SPLASH splash10-004u-9200000000-1cb106a4038a6a76eb41
Source of Spectrum H-79-892-10
Synonyms (3aS,7aR)-3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one 3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one (3aS,7aR)-3a,4,7,7a-Tetrahydroisobenzofuran-1(3H)-one 3a,4,7,7a-tetrahydro-3H-2-benzofuran-1-one 3a,4,7,7a-tetrahydro-3H-isobenzofuran-1-one
Wiley ID 1137878