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3-Methyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
SpectraBase Compound ID EtKGpv9iJ9m
InChI InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h6-8H,2-5H2,1H3
InChIKey LRCFBLCWYSNMBD-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 Bv5tZ4gv3K
Name 3-Methyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
Alternate Name(s) 3-Methyl-3a,4,5,6,7,7a-hexahydro-3H-isobenzofuran-1-one 3-Methyl-hexahydrophthalide (cis, trans) 3-Methylhexahydro-2-benzofuran-1(3H)-one 3-Methylhexahydrophthalide (trans, trans) 3.alpha.-Methyl-trans-hexahydrophthalide 3.beta.-Methyl-trans-hexahydrophthalide
CAS Registry Number 42412-69-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h6-8H,2-5H2,1H3
InChIKey LRCFBLCWYSNMBD-UHFFFAOYSA-N
Molecular Weight 154.209 g/mol
SMILES C1(OC(C)C2C1CCCC2)=O
SPLASH splash10-0159-9000000000-91e051724dc61f9fb0c5
Source of Spectrum F-46-7384-4
Wiley ID 1151317