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(3aRS,7SR,7aRS)-7a-Hydroxy-perhydroisobenzofuranone
SpectraBase Compound ID DtoKyPBSnbe
InChI InChI=1S/C8H12O3/c9-7-8(10)4-2-1-3-6(8)5-11-7/h6,10H,1-5H2
InChIKey HORQDEDELNNJKX-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gptag8EWV5f
Name (3aRS,7SR,7aRS)-7a-Hydroxy-perhydroisobenzofuranone
Alternate Name(s) 7a-hydroxyhexahydro-2-benzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c9-7-8(10)4-2-1-3-6(8)5-11-7/h6,10H,1-5H2
InChIKey HORQDEDELNNJKX-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES OC12C(OCC2CCCC1)=O
SPLASH splash10-004i-0900000000-f5f9d4f645ff5b448b78
Source of Spectrum AH-126-1211-17
Wiley ID 1153486