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3-Methylhexahydro-1-benzofuran-2(3H)-one
SpectraBase Compound ID 1LpJvxGtAet
InChI InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3
InChIKey YBWKITXSXPBILI-UHFFFAOYSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5qrbdw2139y
Name 3-Methylhexahydro-1-benzofuran-2(3H)-one
CAS Registry Number 58648-38-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)11-9(6)10/h6-8H,2-5H2,1H3
InChIKey YBWKITXSXPBILI-UHFFFAOYSA-N
Molecular Weight 154.209 g/mol
SMILES C1CCC2C(C1)C(C)C(O2)=O
SPLASH splash10-001i-9000000000-94b952f99ba445553af7
Source of Spectrum W5-1989-9201-1
Synonyms 3-Methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one 3-Methyl-3a,4,5,6,7,7a-hexahydro-3H-benzofuran-2-one 3.alpha.-Methyl-cis-hexahydrophthalide
Wiley ID 1151277